Lipids and Lipid Derivatives
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2-Methyl-2-pentenoic acid, 99%
CAS: 3142-72-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00002655 InChI Key: JJYWRQLLQAKNAD-SNAWJCMRSA-N Synonym: 2-methyl-2-pentenoic acid,trans-2-methyl-2-pentenoic acid,e-2-methylpent-2-enoic acid,e-2-methyl-2-pentenoic acid,2-pentenoic acid, 2-methyl,2-pentenoic acid, 2-methyl-, e,e-2-methylpent-2-en-1-oic acid,s-2-methylpentenoic acid,2e-2-methylpent-2-enoic acid,2-methylpent-2-en-1-oic acid PubChem CID: 5365909 IUPAC Name: (E)-2-methylpent-2-enoic acid SMILES: CCC=C(C)C(=O)O
| PubChem CID | 5365909 |
|---|---|
| CAS | 3142-72-1 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00002655 |
| SMILES | CCC=C(C)C(=O)O |
| Synonym | 2-methyl-2-pentenoic acid,trans-2-methyl-2-pentenoic acid,e-2-methylpent-2-enoic acid,e-2-methyl-2-pentenoic acid,2-pentenoic acid, 2-methyl,2-pentenoic acid, 2-methyl-, e,e-2-methylpent-2-en-1-oic acid,s-2-methylpentenoic acid,2e-2-methylpent-2-enoic acid,2-methylpent-2-en-1-oic acid |
| IUPAC Name | (E)-2-methylpent-2-enoic acid |
| InChI Key | JJYWRQLLQAKNAD-SNAWJCMRSA-N |
| Molecular Formula | C6H10O2 |
(-)-Carveol, mixture of isomers, 97%
CAS: 99-48-9 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00869995,MFCD00062993 InChI Key: BAVONGHXFVOKBV-UHFFFAOYNA-N Synonym: carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol PubChem CID: 7438 ChEBI: CHEBI:23046 IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol SMILES: CC(=C)C1CC=C(C)C(O)C1
| PubChem CID | 7438 |
|---|---|
| CAS | 99-48-9 |
| Molecular Weight (g/mol) | 152.24 |
| ChEBI | CHEBI:23046 |
| MDL Number | MFCD00869995,MFCD00062993 |
| SMILES | CC(=C)C1CC=C(C)C(O)C1 |
| Synonym | carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol |
| IUPAC Name | 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol |
| InChI Key | BAVONGHXFVOKBV-UHFFFAOYNA-N |
| Molecular Formula | C10H16O |
Isophytol, 95%
CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
| PubChem CID | 10453 |
|---|---|
| CAS | 505-32-8 |
| Molecular Weight (g/mol) | 296.539 |
| MDL Number | MFCD00048380 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O |
| Synonym | isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 |
| IUPAC Name | 3,7,11,15-tetramethylhexadec-1-en-3-ol |
| InChI Key | KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| Molecular Formula | C20H40O |
Sorbic acid, free acid, ≥99%, MP Biomedicals™
CAS: 110-44-1 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 MDL Number: MFCD00002703 InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonym: sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid PubChem CID: 643460 ChEBI: CHEBI:38358 IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid SMILES: C\C=C\C=C\C(O)=O
| PubChem CID | 643460 |
|---|---|
| CAS | 110-44-1 |
| Molecular Weight (g/mol) | 112.13 |
| ChEBI | CHEBI:38358 |
| MDL Number | MFCD00002703 |
| SMILES | C\C=C\C=C\C(O)=O |
| Synonym | sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid |
| IUPAC Name | (2E,4E)-hexa-2,4-dienoic acid |
| InChI Key | WSWCOQWTEOXDQX-MQQKCMAXSA-N |
| Molecular Formula | C6H8O2 |
2-Deoxy-D-Galactose, MP Biomedicals™
CAS: 1949-89-9 Molecular Formula: C6H12O5 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00014649 InChI Key: PMMURAAUARKVCB-ONLQHTGVNA-N Synonym: 2-deoxy-d-galactose,3r,4r,5r-3,4,5,6-tetrahydroxyhexanal,d-lyxo-hexose, 2-deoxy,unii-531k2iok5q,2-deoxy-d-lyxo-hexose,lyxo-hexose, 2-deoxy,ksc179c4l PubChem CID: 102191 ChEBI: CHEBI:27411 IUPAC Name: (4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol SMILES: OC[C@H]1OC(O)C[C@@H](O)[C@H]1O
| PubChem CID | 102191 |
|---|---|
| CAS | 1949-89-9 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:27411 |
| MDL Number | MFCD00014649 |
| SMILES | OC[C@H]1OC(O)C[C@@H](O)[C@H]1O |
| Synonym | 2-deoxy-d-galactose,3r,4r,5r-3,4,5,6-tetrahydroxyhexanal,d-lyxo-hexose, 2-deoxy,unii-531k2iok5q,2-deoxy-d-lyxo-hexose,lyxo-hexose, 2-deoxy,ksc179c4l |
| IUPAC Name | (4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol |
| InChI Key | PMMURAAUARKVCB-ONLQHTGVNA-N |
| Molecular Formula | C6H12O5 |
Farnesol, mixture of isomers, 96%
CAS: 4602-84-0 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.37 MDL Number: MFCD00002918,MFCD00002918,MFCD00002918,MFCD00002918 InChI Key: CRDAMVZIKSXKFV-YFVJMOTDSA-N Synonym: e,z-farnesol,2-trans,6-cis-farnesol,2e,6z-farnesol,trans,cis-farnesol,farnesol,2e,6z-3,7,11-trimethyldodeca-2,6,10-trien-1-ol,farnesyl alcohol,e,z-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol,2-trans,6-cis-3,7,11-trimethyldodeca-2,6,10-trien-1-ol PubChem CID: 1549109 ChEBI: CHEBI:35966 IUPAC Name: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CO
| PubChem CID | 1549109 |
|---|---|
| CAS | 4602-84-0 |
| Molecular Weight (g/mol) | 222.37 |
| ChEBI | CHEBI:35966 |
| MDL Number | MFCD00002918,MFCD00002918,MFCD00002918,MFCD00002918 |
| SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CO |
| Synonym | e,z-farnesol,2-trans,6-cis-farnesol,2e,6z-farnesol,trans,cis-farnesol,farnesol,2e,6z-3,7,11-trimethyldodeca-2,6,10-trien-1-ol,farnesyl alcohol,e,z-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol,2-trans,6-cis-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| IUPAC Name | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| InChI Key | CRDAMVZIKSXKFV-YFVJMOTDSA-N |
| Molecular Formula | C15H26O |
Camphene, 75%, remainder mainly alpha-fenchene
CAS: 79-92-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066603 InChI Key: CRPUJAZIXJMDBK-UHFFFAOYSA-N Synonym: camphene,comphene,2,2-dimethyl-3-methylenenorbornane,3,3-dimethyl-2-methylenenorbornane,3,3-dimethyl-2-methylenenorcamphane,+/--camphene,2,2-dimethyl-3-methylenebicyclo 2.2.1 heptane,2,2-dimethyl-3-methylidenebicyclo 2.2.1 heptane,bicyclo 2.2.1 heptane, 2,2-dimethyl-3-methylene,fema no. 2229 PubChem CID: 6616 ChEBI: CHEBI:3830 IUPAC Name: 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane SMILES: CC1(C2CCC(C2)C1=C)C
| PubChem CID | 6616 |
|---|---|
| CAS | 79-92-5 |
| Molecular Weight (g/mol) | 136.24 |
| ChEBI | CHEBI:3830 |
| MDL Number | MFCD00066603 |
| SMILES | CC1(C2CCC(C2)C1=C)C |
| Synonym | camphene,comphene,2,2-dimethyl-3-methylenenorbornane,3,3-dimethyl-2-methylenenorbornane,3,3-dimethyl-2-methylenenorcamphane,+/--camphene,2,2-dimethyl-3-methylenebicyclo 2.2.1 heptane,2,2-dimethyl-3-methylidenebicyclo 2.2.1 heptane,bicyclo 2.2.1 heptane, 2,2-dimethyl-3-methylene,fema no. 2229 |
| IUPAC Name | 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane |
| InChI Key | CRPUJAZIXJMDBK-UHFFFAOYSA-N |
| Molecular Formula | C10H16 |
6-Bromohexanoic acid, 98+%
CAS: 4224-70-8 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.056 MDL Number: MFCD00004422 InChI Key: NVRVNSHHLPQGCU-UHFFFAOYSA-N Synonym: 6-bromocaproic acid,hexanoic acid, 6-bromo,6-bromo-hexanoic acid,6-bromo-n-caproic acid,6-bromo hexanoic acid,epsilon-bromo caproic acid,6-bromo hexanoicacid,6bromohexanoic acid,6-bromo-hexanicacid,6-bromo-caproic acid PubChem CID: 20210 ChEBI: CHEBI:60700 IUPAC Name: 6-bromohexanoic acid SMILES: C(CCC(=O)O)CCBr
| PubChem CID | 20210 |
|---|---|
| CAS | 4224-70-8 |
| Molecular Weight (g/mol) | 195.056 |
| ChEBI | CHEBI:60700 |
| MDL Number | MFCD00004422 |
| SMILES | C(CCC(=O)O)CCBr |
| Synonym | 6-bromocaproic acid,hexanoic acid, 6-bromo,6-bromo-hexanoic acid,6-bromo-n-caproic acid,6-bromo hexanoic acid,epsilon-bromo caproic acid,6-bromo hexanoicacid,6bromohexanoic acid,6-bromo-hexanicacid,6-bromo-caproic acid |
| IUPAC Name | 6-bromohexanoic acid |
| InChI Key | NVRVNSHHLPQGCU-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO2 |
Geranyl acetate, 98%
CAS: 105-87-3 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00015037 InChI Key: HIGQPQRQIQDZMP-DHZHZOJOSA-N Synonym: geranyl acetate,geraniol acetate,bay pine oyster oil,acetic acid, geraniol ester,trans-3,7-dimethyl-2,6-octadien-1-yl acetate,geranyl ethanoate,acetic acid, geranyl ester,unii-3w81yg7p9r,geranyl acetate, cis,3,7-dimethyl-2,6-octadienyl acetate PubChem CID: 1549026 ChEBI: CHEBI:5331 IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] acetate SMILES: CC(C)=CCC\C(C)=C\COC(C)=O
| PubChem CID | 1549026 |
|---|---|
| CAS | 105-87-3 |
| Molecular Weight (g/mol) | 196.29 |
| ChEBI | CHEBI:5331 |
| MDL Number | MFCD00015037 |
| SMILES | CC(C)=CCC\C(C)=C\COC(C)=O |
| Synonym | geranyl acetate,geraniol acetate,bay pine oyster oil,acetic acid, geraniol ester,trans-3,7-dimethyl-2,6-octadien-1-yl acetate,geranyl ethanoate,acetic acid, geranyl ester,unii-3w81yg7p9r,geranyl acetate, cis,3,7-dimethyl-2,6-octadienyl acetate |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| InChI Key | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| Molecular Formula | C12H20O2 |
Calcium 2-ethylhexanoate, 98%
CAS: 136-51-6 Molecular Formula: C16H30CaO4 Molecular Weight (g/mol): 326.49 MDL Number: MFCD00014001 InChI Key: LTPCXXMGKDQPAO-UHFFFAOYSA-L Synonym: calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063 PubChem CID: 61082 IUPAC Name: calcium;2-ethylhexanoate SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]
| PubChem CID | 61082 |
|---|---|
| CAS | 136-51-6 |
| Molecular Weight (g/mol) | 326.49 |
| MDL Number | MFCD00014001 |
| SMILES | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2] |
| Synonym | calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063 |
| IUPAC Name | calcium;2-ethylhexanoate |
| InChI Key | LTPCXXMGKDQPAO-UHFFFAOYSA-L |
| Molecular Formula | C16H30CaO4 |
Norbornane-2-carboxylic acid, 98%, predominantly endo isomer
CAS: 824-62-4 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00167749 InChI Key: JESWDXIHOJGWBP-UHFFFAOYNA-N Synonym: bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid PubChem CID: 79113 SMILES: OC(=O)C1CC2CCC1C2
| PubChem CID | 79113 |
|---|---|
| CAS | 824-62-4 |
| Molecular Weight (g/mol) | 140.18 |
| MDL Number | MFCD00167749 |
| SMILES | OC(=O)C1CC2CCC1C2 |
| Synonym | bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid |
| InChI Key | JESWDXIHOJGWBP-UHFFFAOYNA-N |
| Molecular Formula | C8H12O2 |
4-Bromobutyric acid, 97%
CAS: 2623-87-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00002817 InChI Key: GRHQDJDRGZFIPO-UHFFFAOYSA-N Synonym: 4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754 PubChem CID: 75809 IUPAC Name: 4-bromobutanoic acid SMILES: OC(=O)CCCBr
| PubChem CID | 75809 |
|---|---|
| CAS | 2623-87-2 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00002817 |
| SMILES | OC(=O)CCCBr |
| Synonym | 4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754 |
| IUPAC Name | 4-bromobutanoic acid |
| InChI Key | GRHQDJDRGZFIPO-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Thermo Scientific Chemicals Flumethasone
CAS: 2135-17-3 Molecular Formula: C22H28F2O5 Molecular Weight (g/mol): 410.46 InChI Key: WXURHACBFYSXBI-GQKYHHCASA-N IUPAC Name: (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
| CAS | 2135-17-3 |
|---|---|
| Molecular Weight (g/mol) | 410.46 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |
| IUPAC Name | (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one |
| InChI Key | WXURHACBFYSXBI-GQKYHHCASA-N |
| Molecular Formula | C22H28F2O5 |
Elaidic acid, 98%
CAS: 112-79-8 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.468 MDL Number: MFCD00063954 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: elaidic acid,trans-oleic acid,trans-9-octadecenoic acid,9-octadecenoic acid,e-oleic acid,9-octadecenoic acid, e,e-octadec-9-enoic acid,trans-elaidic acid,9-octadecenoic acid, 9e,elaidinsaure PubChem CID: 637517 ChEBI: CHEBI:27997 IUPAC Name: (E)-octadec-9-enoic acid SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
| PubChem CID | 637517 |
|---|---|
| CAS | 112-79-8 |
| Molecular Weight (g/mol) | 282.468 |
| ChEBI | CHEBI:27997 |
| MDL Number | MFCD00063954 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)O |
| Synonym | elaidic acid,trans-oleic acid,trans-9-octadecenoic acid,9-octadecenoic acid,e-oleic acid,9-octadecenoic acid, e,e-octadec-9-enoic acid,trans-elaidic acid,9-octadecenoic acid, 9e,elaidinsaure |
| IUPAC Name | (E)-octadec-9-enoic acid |
| InChI Key | ZQPPMHVWECSIRJ-MDZDMXLPSA-N |
| Molecular Formula | C18H34O2 |
(S)-(+)-2-Hydroxy-3-methylbutanoic acid, 99+%
CAS: 17407-55-5 Molecular Formula: C5H9O3 Molecular Weight (g/mol): 117.13 MDL Number: MFCD00066443 InChI Key: NGEWQZIDQIYUNV-BYPYZUCNSA-M Synonym: s-+-2-hydroxy-3-methylbutyric acid,s-2-hydroxy-3-methylbutanoic acid,l-alpha-hydroxyisovaleric acid,s-2-hydroxy-3-methylbutyric acid,2s-2-hydroxy-3-methylbutanoic acid,unii-rub6h7st9k,s-2-hydroxyisovaleric acid,s-+-2-hydroxy-3-methylbutanoic acid,butanoic acid, 2-hydroxy-3-methyl-, 2s,rub6h7st9k PubChem CID: 853180 ChEBI: CHEBI:60631 IUPAC Name: (2S)-2-hydroxy-3-methylbutanoic acid SMILES: CC(C)[C@H](O)C([O-])=O
| PubChem CID | 853180 |
|---|---|
| CAS | 17407-55-5 |
| Molecular Weight (g/mol) | 117.13 |
| ChEBI | CHEBI:60631 |
| MDL Number | MFCD00066443 |
| SMILES | CC(C)[C@H](O)C([O-])=O |
| Synonym | s-+-2-hydroxy-3-methylbutyric acid,s-2-hydroxy-3-methylbutanoic acid,l-alpha-hydroxyisovaleric acid,s-2-hydroxy-3-methylbutyric acid,2s-2-hydroxy-3-methylbutanoic acid,unii-rub6h7st9k,s-2-hydroxyisovaleric acid,s-+-2-hydroxy-3-methylbutanoic acid,butanoic acid, 2-hydroxy-3-methyl-, 2s,rub6h7st9k |
| IUPAC Name | (2S)-2-hydroxy-3-methylbutanoic acid |
| InChI Key | NGEWQZIDQIYUNV-BYPYZUCNSA-M |
| Molecular Formula | C5H9O3 |