Lipids and Lipid Derivatives
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Methyl stearate, mixture of homologs
CAS: 112-61-8 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00009005 InChI Key: HPEUJPJOZXNMSJ-UHFFFAOYSA-N Synonym: methyl stearate,octadecanoic acid, methyl ester,stearic acid methyl ester,metholene 2218,kemester 9718,methyl n-octadecanoate,stearic acid, methyl ester,kemester 9018,emery 2218,n-octadecanoic acid methyl ester PubChem CID: 8201 ChEBI: CHEBI:69188 IUPAC Name: methyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
| PubChem CID | 8201 |
|---|---|
| CAS | 112-61-8 |
| Molecular Weight (g/mol) | 298.51 |
| ChEBI | CHEBI:69188 |
| MDL Number | MFCD00009005 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
| Synonym | methyl stearate,octadecanoic acid, methyl ester,stearic acid methyl ester,metholene 2218,kemester 9718,methyl n-octadecanoate,stearic acid, methyl ester,kemester 9018,emery 2218,n-octadecanoic acid methyl ester |
| IUPAC Name | methyl octadecanoate |
| InChI Key | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
S-Butyrylthiocholine iodide, 98%
CAS: 1866-16-6 Molecular Formula: C9H20INOS Molecular Weight (g/mol): 317.229 MDL Number: MFCD00011845 InChI Key: WEQAAFZDJROSBF-UHFFFAOYSA-M Synonym: butyrylthiocholine iodide,s-butyrylthiocholine iodide,2-butyrylthio-n,n,n-trimethylethanaminium iodide,s-n-butyrylthiocholine iodide,2-mercaptoethyl trimethylammonium iodide butyrate,ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide,propylcarbonylthioethyl trimethylammonium iodide,1-2-trimethylamino ethylthio butan-1-one, iodide,ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide 1:1 PubChem CID: 74630 IUPAC Name: 2-butanoylsulfanylethyl(trimethyl)azanium;iodide SMILES: CCCC(=O)SCC[N+](C)(C)C.[I-]
| PubChem CID | 74630 |
|---|---|
| CAS | 1866-16-6 |
| Molecular Weight (g/mol) | 317.229 |
| MDL Number | MFCD00011845 |
| SMILES | CCCC(=O)SCC[N+](C)(C)C.[I-] |
| Synonym | butyrylthiocholine iodide,s-butyrylthiocholine iodide,2-butyrylthio-n,n,n-trimethylethanaminium iodide,s-n-butyrylthiocholine iodide,2-mercaptoethyl trimethylammonium iodide butyrate,ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide,propylcarbonylthioethyl trimethylammonium iodide,1-2-trimethylamino ethylthio butan-1-one, iodide,ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide 1:1 |
| IUPAC Name | 2-butanoylsulfanylethyl(trimethyl)azanium;iodide |
| InChI Key | WEQAAFZDJROSBF-UHFFFAOYSA-M |
| Molecular Formula | C9H20INOS |
Sodium hydrogen fumarate, 98%
CAS: 5873-57-4 Molecular Formula: C4H2NaO4 Molecular Weight (g/mol): 137.05 MDL Number: MFCD00039097 InChI Key: VRVKOZSIJXBAJG-TYYBGVCCSA-L Synonym: sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu PubChem CID: 6076814 IUPAC Name: sodium;(E)-4-hydroxy-4-oxobut-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C([O-])=O
| PubChem CID | 6076814 |
|---|---|
| CAS | 5873-57-4 |
| Molecular Weight (g/mol) | 137.05 |
| MDL Number | MFCD00039097 |
| SMILES | [Na+].[O-]C(=O)\C=C\C([O-])=O |
| Synonym | sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu |
| IUPAC Name | sodium;(E)-4-hydroxy-4-oxobut-2-enoate |
| InChI Key | VRVKOZSIJXBAJG-TYYBGVCCSA-L |
| Molecular Formula | C4H2NaO4 |
Succinamic acid, 97%
CAS: 638-32-4 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.10 MDL Number: MFCD00008041 InChI Key: JDVPQXZIJDEHAN-UHFFFAOYSA-N Synonym: succinamic acid,butanoic acid, 4-amino-4-oxo,succinic acid monoamide,3-carbamoylpropanoic acid,succinamidic acid,acmc-1b64y,3-c-hydroxycarbonimidoyl propanoic acid PubChem CID: 12522 ChEBI: CHEBI:50398 IUPAC Name: 4-amino-4-oxobutanoic acid SMILES: NC(=O)CCC(O)=O
| PubChem CID | 12522 |
|---|---|
| CAS | 638-32-4 |
| Molecular Weight (g/mol) | 117.10 |
| ChEBI | CHEBI:50398 |
| MDL Number | MFCD00008041 |
| SMILES | NC(=O)CCC(O)=O |
| Synonym | succinamic acid,butanoic acid, 4-amino-4-oxo,succinic acid monoamide,3-carbamoylpropanoic acid,succinamidic acid,acmc-1b64y,3-c-hydroxycarbonimidoyl propanoic acid |
| IUPAC Name | 4-amino-4-oxobutanoic acid |
| InChI Key | JDVPQXZIJDEHAN-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO3 |
(1S)-(+)-Menthyl acetate, 99%
CAS: 5157-89-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00062977 InChI Key: XHXUANMFYXWVNG-DLOVCJGASA-N Synonym: neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate PubChem CID: 21630934 IUPAC Name: [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate SMILES: CC1CCC(C(C1)OC(=O)C)C(C)C
| PubChem CID | 21630934 |
|---|---|
| CAS | 5157-89-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00062977 |
| SMILES | CC1CCC(C(C1)OC(=O)C)C(C)C |
| Synonym | neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate |
| IUPAC Name | [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate |
| InChI Key | XHXUANMFYXWVNG-DLOVCJGASA-N |
| Molecular Formula | C12H22O2 |
(1S)-(-)-beta-Pinene, 99%
CAS: 18172-67-3 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00001345 InChI Key: WTARULDDTDQWMU-IUCAKERBSA-N Synonym: --beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su PubChem CID: 440967 ChEBI: CHEBI:28359 IUPAC Name: (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane SMILES: CC1(C2CCC(=C)C1C2)C
| PubChem CID | 440967 |
|---|---|
| CAS | 18172-67-3 |
| Molecular Weight (g/mol) | 136.238 |
| ChEBI | CHEBI:28359 |
| MDL Number | MFCD00001345 |
| SMILES | CC1(C2CCC(=C)C1C2)C |
| Synonym | --beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su |
| IUPAC Name | (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane |
| InChI Key | WTARULDDTDQWMU-IUCAKERBSA-N |
| Molecular Formula | C10H16 |
11-Heneicosanol, 97%
CAS: 3381-26-8 Molecular Formula: C21H44O Molecular Weight (g/mol): 312.582 MDL Number: MFCD00026547 InChI Key: BCNCKKYOXRHQGT-UHFFFAOYSA-N Synonym: 11-heneicosanol,11-henicosanol,11-henicosanol #,acmc-20aozg PubChem CID: 76913 IUPAC Name: henicosan-11-ol SMILES: CCCCCCCCCCC(CCCCCCCCCC)O
| PubChem CID | 76913 |
|---|---|
| CAS | 3381-26-8 |
| Molecular Weight (g/mol) | 312.582 |
| MDL Number | MFCD00026547 |
| SMILES | CCCCCCCCCCC(CCCCCCCCCC)O |
| Synonym | 11-heneicosanol,11-henicosanol,11-henicosanol #,acmc-20aozg |
| IUPAC Name | henicosan-11-ol |
| InChI Key | BCNCKKYOXRHQGT-UHFFFAOYSA-N |
| Molecular Formula | C21H44O |
(1S)-(-)-Camphorsulfonylimine, 98+%
CAS: 60886-80-8 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.30 MDL Number: MFCD00013315,MFCD00064576 InChI Key: ZAHOEBNYVSWBBW-UHFFFAOYNA-N Synonym: 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione PubChem CID: 45925640 IUPAC Name: 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione SMILES: CC1(C)C2CCC11CS(=O)(=O)N=C1C2
| PubChem CID | 45925640 |
|---|---|
| CAS | 60886-80-8 |
| Molecular Weight (g/mol) | 213.30 |
| MDL Number | MFCD00013315,MFCD00064576 |
| SMILES | CC1(C)C2CCC11CS(=O)(=O)N=C1C2 |
| Synonym | 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione |
| IUPAC Name | 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione |
| InChI Key | ZAHOEBNYVSWBBW-UHFFFAOYNA-N |
| Molecular Formula | C10H15NO2S |
Thermo Scientific Chemicals Flurbiprofen, 98%
CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum PubChem CID: 3394 ChEBI: CHEBI:5130 IUPAC Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
| PubChem CID | 3394 |
|---|---|
| CAS | 5104-49-4 |
| Molecular Weight (g/mol) | 244.27 |
| ChEBI | CHEBI:5130 |
| MDL Number | MFCD00079303 |
| SMILES | CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1 |
| Synonym | flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum |
| IUPAC Name | 2-(3-fluoro-4-phenylphenyl)propanoic acid |
| InChI Key | SYTBZMRGLBWNTM-UHFFFAOYNA-N |
| Molecular Formula | C15H13FO2 |
Thermo Scientific Chemicals Tris-maleate, 98%
CAS: 72200-76-1 Molecular Formula: C4H11NO3·C4H4O4 Molecular Weight (g/mol): 237.21 MDL Number: MFCD00082442 InChI Key: HTMWOUBCEZXSHN-BTJKTKAUSA-N Synonym: butenedioic acid; tris buffer,2-amino-2-hydroxymethyl propane-1,3-diol; but-2-enedioic acid PubChem CID: 16218780 IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-but-2-enedioic acid SMILES: C(C(CO)(CO)N)O.C(=CC(=O)O)C(=O)O
| PubChem CID | 16218780 |
|---|---|
| CAS | 72200-76-1 |
| Molecular Weight (g/mol) | 237.21 |
| MDL Number | MFCD00082442 |
| SMILES | C(C(CO)(CO)N)O.C(=CC(=O)O)C(=O)O |
| Synonym | butenedioic acid; tris buffer,2-amino-2-hydroxymethyl propane-1,3-diol; but-2-enedioic acid |
| IUPAC Name | 2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-but-2-enedioic acid |
| InChI Key | HTMWOUBCEZXSHN-BTJKTKAUSA-N |
| Molecular Formula | C4H11NO3·C4H4O4 |
(+/-)-Citronellal, 96%
CAS: 106-23-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-SNVBAGLBSA-N Synonym: citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal PubChem CID: 7794 ChEBI: CHEBI:47856 SMILES: C[C@H](CCC=C(C)C)CC=O
| PubChem CID | 7794 |
|---|---|
| CAS | 106-23-0 |
| Molecular Weight (g/mol) | 154.25 |
| ChEBI | CHEBI:47856 |
| MDL Number | MFCD00038090 |
| SMILES | C[C@H](CCC=C(C)C)CC=O |
| Synonym | citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal |
| InChI Key | NEHNMFOYXAPHSD-SNVBAGLBSA-N |
| Molecular Formula | C10H18O |
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 |
meso-2,3-Dibromosuccinic acid, 98%, Thermo Scientific Chemicals
CAS: 608-36-6 Molecular Formula: C4H2Br2O4 Molecular Weight (g/mol): 273.87 MDL Number: MFCD00066439 InChI Key: FJWGRXKOBIVTFA-XIXRPRMCSA-L Synonym: 2r,3s-2,3-dibromosuccinic acid,meso-2,3-dibromosuccinic acid,unii-d2ii9ugq9x,d2ii9ugq9x,butanedioic acid, 2,3-dibromo-, 2r,3s-rel,2r,3s-rel-2,3-dibromosuccinic acid,2r,3s-2,3-dibromobutanedioic acid,meso-dibromosuccinic acid,2,3-dibromosuccinic acid, meso,2,3-dibromosuccinic acid meso-form mi PubChem CID: 641611 IUPAC Name: (2S,3R)-2,3-dibromobutanedioic acid SMILES: [O-]C(=O)[C@@H](Br)[C@@H](Br)C([O-])=O
| PubChem CID | 641611 |
|---|---|
| CAS | 608-36-6 |
| Molecular Weight (g/mol) | 273.87 |
| MDL Number | MFCD00066439 |
| SMILES | [O-]C(=O)[C@@H](Br)[C@@H](Br)C([O-])=O |
| Synonym | 2r,3s-2,3-dibromosuccinic acid,meso-2,3-dibromosuccinic acid,unii-d2ii9ugq9x,d2ii9ugq9x,butanedioic acid, 2,3-dibromo-, 2r,3s-rel,2r,3s-rel-2,3-dibromosuccinic acid,2r,3s-2,3-dibromobutanedioic acid,meso-dibromosuccinic acid,2,3-dibromosuccinic acid, meso,2,3-dibromosuccinic acid meso-form mi |
| IUPAC Name | (2S,3R)-2,3-dibromobutanedioic acid |
| InChI Key | FJWGRXKOBIVTFA-XIXRPRMCSA-L |
| Molecular Formula | C4H2Br2O4 |
7-Phenylheptanoic acid, 97%
CAS: 40228-90-8 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00037801 InChI Key: ZVSXKFNTWOIGJI-UHFFFAOYSA-N Synonym: benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc PubChem CID: 520987 IUPAC Name: 7-phenylheptanoic acid SMILES: C1=CC=C(C=C1)CCCCCCC(=O)O
| PubChem CID | 520987 |
|---|---|
| CAS | 40228-90-8 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00037801 |
| SMILES | C1=CC=C(C=C1)CCCCCCC(=O)O |
| Synonym | benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc |
| IUPAC Name | 7-phenylheptanoic acid |
| InChI Key | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
2-Decyn-1-ol, 97%
CAS: 4117-14-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00041567 InChI Key: GFLHGTKUCYPXHB-UHFFFAOYSA-N Synonym: 2-decyn-1-ol,2-decyne-1-ol,n-heptylhydroxymethylacetylene,unii-l4949b9xh9,decynol,pubchem11035,acmc-1arrx,heptyl hydroxymethyl acetylene,2-decyn-1-ol, PubChem CID: 77763 IUPAC Name: dec-2-yn-1-ol SMILES: CCCCCCCC#CCO
| PubChem CID | 77763 |
|---|---|
| CAS | 4117-14-0 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00041567 |
| SMILES | CCCCCCCC#CCO |
| Synonym | 2-decyn-1-ol,2-decyne-1-ol,n-heptylhydroxymethylacetylene,unii-l4949b9xh9,decynol,pubchem11035,acmc-1arrx,heptyl hydroxymethyl acetylene,2-decyn-1-ol, |
| IUPAC Name | dec-2-yn-1-ol |
| InChI Key | GFLHGTKUCYPXHB-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |