Lipids and Lipid Derivatives
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1,2,6-Hexanetriol, 96%
CAS: 106-69-4 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002976 InChI Key: ZWVMLYRJXORSEP-UHFFFAOYNA-N Synonym: 1,2,6-hexanetriol,1,2,6-trihydroxyhexane,hexanetriol-1,2,6,1,6-hexanetriol,hexanetriol-1,6,hexane-1,6-triol,1,6-trihydroxyhexane,acmc-1bsub,dsstox_cid_21224 PubChem CID: 7823 IUPAC Name: hexane-1,2,6-triol SMILES: OCCCCC(O)CO
| PubChem CID | 7823 |
|---|---|
| CAS | 106-69-4 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00002976 |
| SMILES | OCCCCC(O)CO |
| Synonym | 1,2,6-hexanetriol,1,2,6-trihydroxyhexane,hexanetriol-1,2,6,1,6-hexanetriol,hexanetriol-1,6,hexane-1,6-triol,1,6-trihydroxyhexane,acmc-1bsub,dsstox_cid_21224 |
| IUPAC Name | hexane-1,2,6-triol |
| InChI Key | ZWVMLYRJXORSEP-UHFFFAOYNA-N |
| Molecular Formula | C6H14O3 |
Thermo Scientific Chemicals Mycophenolic acid, 98%
CAS: 24280-93-1 Molecular Formula: C17H20O6 Molecular Weight (g/mol): 320.34 InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N Synonym: mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid PubChem CID: 446541 ChEBI: CHEBI:168396 IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
| PubChem CID | 446541 |
|---|---|
| CAS | 24280-93-1 |
| Molecular Weight (g/mol) | 320.34 |
| ChEBI | CHEBI:168396 |
| SMILES | CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC |
| Synonym | mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid |
| IUPAC Name | (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid |
| InChI Key | HPNSFSBZBAHARI-RUDMXATFSA-N |
| Molecular Formula | C17H20O6 |
9-cis-Retinoic acid
CAS: 5300-03-8 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00270072 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid PubChem CID: 449171 ChEBI: CHEBI:50648 IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
| PubChem CID | 449171 |
|---|---|
| CAS | 5300-03-8 |
| Molecular Weight (g/mol) | 300.44 |
| ChEBI | CHEBI:50648 |
| MDL Number | MFCD00270072 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C |
| Synonym | alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid |
| IUPAC Name | (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid |
| InChI Key | SHGAZHPCJJPHSC-YCNIQYBTSA-N |
| Molecular Formula | C20H28O2 |
6-Heptynoic acid, 95%
CAS: 30964-00-2 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00239430 InChI Key: OFCPMJGTZUVUSM-UHFFFAOYSA-N Synonym: 6-heptynoic acid,6-heptynoicacid,6-heptynoic alcohol,ksc222a4l,ofcpmjgtzuvusm-uhfffaoysa PubChem CID: 4377950 IUPAC Name: hept-6-ynoic acid SMILES: OC(=O)CCCCC#C
| PubChem CID | 4377950 |
|---|---|
| CAS | 30964-00-2 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00239430 |
| SMILES | OC(=O)CCCCC#C |
| Synonym | 6-heptynoic acid,6-heptynoicacid,6-heptynoic alcohol,ksc222a4l,ofcpmjgtzuvusm-uhfffaoysa |
| IUPAC Name | hept-6-ynoic acid |
| InChI Key | OFCPMJGTZUVUSM-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Dimethyl pimelate, 98+%
CAS: 1732-08-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00008470 InChI Key: SHWINQXIGSEZAP-UHFFFAOYSA-N Synonym: dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1 PubChem CID: 74416 IUPAC Name: dimethyl heptanedioate SMILES: COC(=O)CCCCCC(=O)OC
| PubChem CID | 74416 |
|---|---|
| CAS | 1732-08-7 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00008470 |
| SMILES | COC(=O)CCCCCC(=O)OC |
| Synonym | dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1 |
| IUPAC Name | dimethyl heptanedioate |
| InChI Key | SHWINQXIGSEZAP-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
3,3-Dimethylacrylic acid, 98%
CAS: 541-47-9 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00004366 InChI Key: YYPNJNDODFVZLE-UHFFFAOYSA-N Synonym: 3,3-dimethylacrylic acid,senecioic acid,3-methylcrotonic acid,3-methyl-2-butenoic acid,2-butenoic acid, 3-methyl,senecic acid,beta,beta-dimethylacrylic acid,crotonic acid, 3-methyl,beta,beta-dimethacrylic acid,beta-methylcrotonic acid PubChem CID: 10931 ChEBI: CHEBI:37127 IUPAC Name: 3-methylbut-2-enoic acid SMILES: CC(=CC(=O)O)C
| PubChem CID | 10931 |
|---|---|
| CAS | 541-47-9 |
| Molecular Weight (g/mol) | 100.117 |
| ChEBI | CHEBI:37127 |
| MDL Number | MFCD00004366 |
| SMILES | CC(=CC(=O)O)C |
| Synonym | 3,3-dimethylacrylic acid,senecioic acid,3-methylcrotonic acid,3-methyl-2-butenoic acid,2-butenoic acid, 3-methyl,senecic acid,beta,beta-dimethylacrylic acid,crotonic acid, 3-methyl,beta,beta-dimethacrylic acid,beta-methylcrotonic acid |
| IUPAC Name | 3-methylbut-2-enoic acid |
| InChI Key | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
(+/-)-2-Heptanol, 98%
CAS: 543-49-7 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.20 MDL Number: MFCD00004587 InChI Key: CETWDUZRCINIHU-UHFFFAOYNA-N Synonym: 2-heptanol,s-heptyl alcohol,2-heptyl alcohol,2-hydroxyheptane,amyl methyl carbinol,heptanol-2,methyl amyl carbinol,1-methylhexanol,heptyl alcohol, sec,2-heptanol natural PubChem CID: 10976 IUPAC Name: heptan-2-ol SMILES: CCCCCC(C)O
| PubChem CID | 10976 |
|---|---|
| CAS | 543-49-7 |
| Molecular Weight (g/mol) | 116.20 |
| MDL Number | MFCD00004587 |
| SMILES | CCCCCC(C)O |
| Synonym | 2-heptanol,s-heptyl alcohol,2-heptyl alcohol,2-hydroxyheptane,amyl methyl carbinol,heptanol-2,methyl amyl carbinol,1-methylhexanol,heptyl alcohol, sec,2-heptanol natural |
| IUPAC Name | heptan-2-ol |
| InChI Key | CETWDUZRCINIHU-UHFFFAOYNA-N |
| Molecular Formula | C7H16O |
Methyl valerate, 99%
CAS: 624-24-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009478 InChI Key: HNBDRPTVWVGKBR-UHFFFAOYSA-N Synonym: methyl valerate,pentanoic acid, methyl ester,methyl n-valerate,methyl valerianate,valeric acid, methyl ester,valeric acid methyl ester,unii-zw21jjj9vn,pentanoic acid methyl ester,fema no. 2752,zw21jjj9vn PubChem CID: 12206 IUPAC Name: methyl pentanoate SMILES: CCCCC(=O)OC
| PubChem CID | 12206 |
|---|---|
| CAS | 624-24-8 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009478 |
| SMILES | CCCCC(=O)OC |
| Synonym | methyl valerate,pentanoic acid, methyl ester,methyl n-valerate,methyl valerianate,valeric acid, methyl ester,valeric acid methyl ester,unii-zw21jjj9vn,pentanoic acid methyl ester,fema no. 2752,zw21jjj9vn |
| IUPAC Name | methyl pentanoate |
| InChI Key | HNBDRPTVWVGKBR-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
12-Hydroxystearic acid, tech. 85%
CAS: 106-14-9 Molecular Formula: C18H36O3 Molecular Weight (g/mol): 300.483 MDL Number: MFCD00004592 InChI Key: ULQISTXYYBZJSJ-UHFFFAOYSA-N Synonym: 12-hydroxystearic acid,octadecanoic acid, 12-hydroxy,harwax a,cerit fac 3,hydrofol acid 200,dl-12-hydroxystearic acid,ceroxin gl,barolub fto,loxiol g 21,stearic acid, 12-hydroxy PubChem CID: 7789 ChEBI: CHEBI:85208 IUPAC Name: 12-hydroxyoctadecanoic acid SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O
| PubChem CID | 7789 |
|---|---|
| CAS | 106-14-9 |
| Molecular Weight (g/mol) | 300.483 |
| ChEBI | CHEBI:85208 |
| MDL Number | MFCD00004592 |
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)O)O |
| Synonym | 12-hydroxystearic acid,octadecanoic acid, 12-hydroxy,harwax a,cerit fac 3,hydrofol acid 200,dl-12-hydroxystearic acid,ceroxin gl,barolub fto,loxiol g 21,stearic acid, 12-hydroxy |
| IUPAC Name | 12-hydroxyoctadecanoic acid |
| InChI Key | ULQISTXYYBZJSJ-UHFFFAOYSA-N |
| Molecular Formula | C18H36O3 |
4,4,4-Trifluorobutyric acid, 97%
CAS: 406-93-9 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00077604 InChI Key: WTUCTMYLCMVYEX-UHFFFAOYSA-N Synonym: 4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid PubChem CID: 2777085 IUPAC Name: 4,4,4-trifluorobutanoic acid SMILES: C(CC(F)(F)F)C(=O)O
| PubChem CID | 2777085 |
|---|---|
| CAS | 406-93-9 |
| Molecular Weight (g/mol) | 142.077 |
| MDL Number | MFCD00077604 |
| SMILES | C(CC(F)(F)F)C(=O)O |
| Synonym | 4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid |
| IUPAC Name | 4,4,4-trifluorobutanoic acid |
| InChI Key | WTUCTMYLCMVYEX-UHFFFAOYSA-N |
| Molecular Formula | C4H5F3O2 |
2,4,6-Triisopropylbenzoic acid, 97%
CAS: 49623-71-4 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.366 MDL Number: MFCD00015031 InChI Key: ULVHAZFBJJXIDO-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877 PubChem CID: 96214 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoic acid SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C
| PubChem CID | 96214 |
|---|---|
| CAS | 49623-71-4 |
| Molecular Weight (g/mol) | 248.366 |
| MDL Number | MFCD00015031 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C |
| Synonym | 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877 |
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzoic acid |
| InChI Key | ULVHAZFBJJXIDO-UHFFFAOYSA-N |
| Molecular Formula | C16H24O2 |
Dimethyl glutarate, 98%
CAS: 1119-40-0 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00008468 InChI Key: XTDYIOOONNVFMA-UHFFFAOYSA-N Synonym: dimethyl glutarate,glutaric acid dimethyl ester,pentanedioic acid, dimethyl ester,methyl glutarate,glutaric acid, dimethyl ester,dbe 5,unii-1i9vfa346p,pentanedioic acid, 1,5-dimethyl ester,1,5-dimethyl pentanedioate,pentanedioic acid dimethyl ester PubChem CID: 14242 SMILES: COC(=O)CCCC(=O)OC
| PubChem CID | 14242 |
|---|---|
| CAS | 1119-40-0 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00008468 |
| SMILES | COC(=O)CCCC(=O)OC |
| Synonym | dimethyl glutarate,glutaric acid dimethyl ester,pentanedioic acid, dimethyl ester,methyl glutarate,glutaric acid, dimethyl ester,dbe 5,unii-1i9vfa346p,pentanedioic acid, 1,5-dimethyl ester,1,5-dimethyl pentanedioate,pentanedioic acid dimethyl ester |
| InChI Key | XTDYIOOONNVFMA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
(2S,3S)-3-(Boc-amino)-2-hydroxy-5-methylhexanoic acid, 97%
CAS: 73397-27-0 Molecular Formula: C12H23NO5 Molecular Weight (g/mol): 261.32 MDL Number: MFCD04974450 InChI Key: DJZCWTDKDFJARG-UHFFFAOYNA-N Synonym: 2s,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoic acid,n-boc-2s,3s-2-hydroxy-3-amino-5-methylhexanoic acid,2s,3s-2-hydroxy-5-methyl-3-2-methylpropan-2-yl oxycarbonylamino hexanoic acid,2s,3s-3-t-butoxycarbonyl amino-2-hydroxy-5-methylhexaneoic acid,2s,3s-2-hydroxy-3-tert-butyloxycarbonyl amino-5-methylhexanoic acid,2s,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoicacid,hexanoic acid,3-1,1-dimethylethoxy carbonyl amino-2-hydroxy-5-methyl-, 2s,3s PubChem CID: 2762291 SMILES: CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(O)=O
| PubChem CID | 2762291 |
|---|---|
| CAS | 73397-27-0 |
| Molecular Weight (g/mol) | 261.32 |
| MDL Number | MFCD04974450 |
| SMILES | CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(O)=O |
| Synonym | 2s,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoic acid,n-boc-2s,3s-2-hydroxy-3-amino-5-methylhexanoic acid,2s,3s-2-hydroxy-5-methyl-3-2-methylpropan-2-yl oxycarbonylamino hexanoic acid,2s,3s-3-t-butoxycarbonyl amino-2-hydroxy-5-methylhexaneoic acid,2s,3s-2-hydroxy-3-tert-butyloxycarbonyl amino-5-methylhexanoic acid,2s,3s-3-tert-butoxycarbonyl amino-2-hydroxy-5-methylhexanoicacid,hexanoic acid,3-1,1-dimethylethoxy carbonyl amino-2-hydroxy-5-methyl-, 2s,3s |
| InChI Key | DJZCWTDKDFJARG-UHFFFAOYNA-N |
| Molecular Formula | C12H23NO5 |
8-Bromooctanoic acid, 95%
CAS: 17696-11-6 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00004430 InChI Key: BKJFDZSBZWHRNH-UHFFFAOYSA-N Synonym: 8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h PubChem CID: 548275 IUPAC Name: 8-bromooctanoic acid SMILES: C(CCCC(=O)O)CCCBr
| PubChem CID | 548275 |
|---|---|
| CAS | 17696-11-6 |
| Molecular Weight (g/mol) | 223.11 |
| MDL Number | MFCD00004430 |
| SMILES | C(CCCC(=O)O)CCCBr |
| Synonym | 8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h |
| IUPAC Name | 8-bromooctanoic acid |
| InChI Key | BKJFDZSBZWHRNH-UHFFFAOYSA-N |
| Molecular Formula | C8H15BrO2 |
2-Allyl-N-Boc-D-glycine dicyclohexylamine salt, 95%
CAS: 170899-08-8 Molecular Formula: C10H17NO4 Molecular Weight (g/mol): 215.249 MDL Number: MFCD01321012 InChI Key: BUPDPLXLAKNJMI-SSDOTTSWSA-N Synonym: boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha PubChem CID: 638723 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid SMILES: CC(C)(C)OC(=O)NC(CC=C)C(=O)O
| PubChem CID | 638723 |
|---|---|
| CAS | 170899-08-8 |
| Molecular Weight (g/mol) | 215.249 |
| MDL Number | MFCD01321012 |
| SMILES | CC(C)(C)OC(=O)NC(CC=C)C(=O)O |
| Synonym | boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid |
| InChI Key | BUPDPLXLAKNJMI-SSDOTTSWSA-N |
| Molecular Formula | C10H17NO4 |