Lipids and Lipid Derivatives
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3-Hydroxy-3-methylbutyric acid, 96%
CAS: 625-08-1 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00059081 InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N Synonym: beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate PubChem CID: 69362 ChEBI: CHEBI:37084 IUPAC Name: 3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(O)CC(O)=O
| PubChem CID | 69362 |
|---|---|
| CAS | 625-08-1 |
| Molecular Weight (g/mol) | 118.13 |
| ChEBI | CHEBI:37084 |
| MDL Number | MFCD00059081 |
| SMILES | CC(C)(O)CC(O)=O |
| Synonym | beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate |
| IUPAC Name | 3-hydroxy-3-methylbutanoic acid |
| InChI Key | AXFYFNCPONWUHW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
1-Heptanol, 99%
CAS: 111-70-6 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.20 MDL Number: MFCD00002986 InChI Key: BBMCTIGTTCKYKF-UHFFFAOYSA-N Synonym: 1-heptanol,heptyl alcohol,heptanol,n-heptanol,n-heptyl alcohol,enanthic alcohol,gentanol,1-hydroxyheptane,n-heptan-1-ol,enanthyl alcohol PubChem CID: 8129 IUPAC Name: heptan-1-ol SMILES: CCCCCCCO
| PubChem CID | 8129 |
|---|---|
| CAS | 111-70-6 |
| Molecular Weight (g/mol) | 116.20 |
| MDL Number | MFCD00002986 |
| SMILES | CCCCCCCO |
| Synonym | 1-heptanol,heptyl alcohol,heptanol,n-heptanol,n-heptyl alcohol,enanthic alcohol,gentanol,1-hydroxyheptane,n-heptan-1-ol,enanthyl alcohol |
| IUPAC Name | heptan-1-ol |
| InChI Key | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |
Hexyl alcohol, 98%, pure
CAS: 111-27-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002982 InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N Synonym: 1-hexanol,hexyl alcohol,hexanol,n-hexanol,n-hexyl alcohol,1-hexyl alcohol,1-hydroxyhexane,amylcarbinol,caproyl alcohol,pentylcarbinol PubChem CID: 8103 ChEBI: CHEBI:87393 IUPAC Name: hexan-1-ol SMILES: CCCCCCO
| PubChem CID | 8103 |
|---|---|
| CAS | 111-27-3 |
| Molecular Weight (g/mol) | 102.18 |
| ChEBI | CHEBI:87393 |
| MDL Number | MFCD00002982 |
| SMILES | CCCCCCO |
| Synonym | 1-hexanol,hexyl alcohol,hexanol,n-hexanol,n-hexyl alcohol,1-hexyl alcohol,1-hydroxyhexane,amylcarbinol,caproyl alcohol,pentylcarbinol |
| IUPAC Name | hexan-1-ol |
| InChI Key | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
Itaconic acid, 99%
CAS: 97-65-4 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.099 MDL Number: MFCD00004260 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O
| PubChem CID | 811 |
|---|---|
| CAS | 97-65-4 |
| Molecular Weight (g/mol) | 130.099 |
| ChEBI | CHEBI:30838 |
| MDL Number | MFCD00004260 |
| SMILES | C=C(CC(=O)O)C(=O)O |
| Synonym | itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid |
| IUPAC Name | 2-methylidenebutanedioic acid |
| InChI Key | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O4 |
Itaconic acid, 99+%
CAS: 97-65-4 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.1 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O
| PubChem CID | 811 |
|---|---|
| CAS | 97-65-4 |
| Molecular Weight (g/mol) | 130.1 |
| ChEBI | CHEBI:30838 |
| SMILES | C=C(CC(=O)O)C(=O)O |
| Synonym | itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid |
| IUPAC Name | 2-methylidenebutanedioic acid |
| InChI Key | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O4 |
Thermo Scientific Chemicals Lauric acid, 99%
CAS: 143-07-7 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O
| PubChem CID | 3893 |
|---|---|
| CAS | 143-07-7 |
| Molecular Weight (g/mol) | 200.32 |
| ChEBI | CHEBI:30805 |
| MDL Number | MFCD00002736 |
| SMILES | CCCCCCCCCCCC(=O)O |
| Synonym | lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 |
| IUPAC Name | dodecanoic acid |
| InChI Key | POULHZVOKOAJMA-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Methyl butyrate, 99%
CAS: 623-42-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00009391 InChI Key: UUIQMZJEGPQKFD-UHFFFAOYSA-N Synonym: methyl butyrate,butanoic acid, methyl ester,methyl n-butyrate,butyric acid, methyl ester,methyl n-butanoate,butyric acid methyl ester,methyl-n-butyrate,n-butyric acid methyl ester,methyl butyrate natural,unii-cgx598508o PubChem CID: 12180 IUPAC Name: methyl butanoate SMILES: CCCC(=O)OC
| PubChem CID | 12180 |
|---|---|
| CAS | 623-42-7 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00009391 |
| SMILES | CCCC(=O)OC |
| Synonym | methyl butyrate,butanoic acid, methyl ester,methyl n-butyrate,butyric acid, methyl ester,methyl n-butanoate,butyric acid methyl ester,methyl-n-butyrate,n-butyric acid methyl ester,methyl butyrate natural,unii-cgx598508o |
| IUPAC Name | methyl butanoate |
| InChI Key | UUIQMZJEGPQKFD-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Thermo Scientific Chemicals Linolenic acid, 99%
CAS: 463-40-1 Molecular Formula: C18H30O2 Molecular Weight (g/mol): 278.44 MDL Number: MFCD00065720 InChI Key: DTOSIQBPPRVQHS-PDBXOOCHSA-N Synonym: linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid PubChem CID: 5280934 ChEBI: CHEBI:27432 IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O
| PubChem CID | 5280934 |
|---|---|
| CAS | 463-40-1 |
| Molecular Weight (g/mol) | 278.44 |
| ChEBI | CHEBI:27432 |
| MDL Number | MFCD00065720 |
| SMILES | CCC=CCC=CCC=CCCCCCCCC(=O)O |
| Synonym | linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid |
| IUPAC Name | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| InChI Key | DTOSIQBPPRVQHS-PDBXOOCHSA-N |
| Molecular Formula | C18H30O2 |
Thermo Scientific Chemicals Vitamin D3, 99%
CAS: 67-97-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00078131 InChI Key: QYSXJUFSXHHAJI-YRZJJWOYSA-N Synonym: vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum PubChem CID: 5280795 ChEBI: CHEBI:28940 IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
| PubChem CID | 5280795 |
|---|---|
| CAS | 67-97-0 |
| Molecular Weight (g/mol) | 384.648 |
| ChEBI | CHEBI:28940 |
| MDL Number | MFCD00078131 |
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| Synonym | vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum |
| IUPAC Name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| InChI Key | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
| Molecular Formula | C27H44O |
Caprylic acid, >99.5%, MP Biomedicals™
CAS: 124-07-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00004429 InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N Synonym: caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid PubChem CID: 379 ChEBI: CHEBI:28837 IUPAC Name: octanoic acid SMILES: CCCCCCCC(=O)O
| PubChem CID | 379 |
|---|---|
| CAS | 124-07-2 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:28837 |
| MDL Number | MFCD00004429 |
| SMILES | CCCCCCCC(=O)O |
| Synonym | caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid |
| IUPAC Name | octanoic acid |
| InChI Key | WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Methyl palmitate, 97%
CAS: 112-39-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.457 MDL Number: MFCD00008994 InChI Key: FLIACVVOZYBSBS-UHFFFAOYSA-N Synonym: methyl palmitate,palmitic acid methyl ester,hexadecanoic acid, methyl ester,palmitic acid, methyl ester,uniphat a60,metholene 2216,methyl n-hexadecanoate,hexadecanoic acid methyl ester,n-hexadecanoic acid methyl ester,unii-dpy8vcm98i PubChem CID: 8181 ChEBI: CHEBI:69187 IUPAC Name: methyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC
| PubChem CID | 8181 |
|---|---|
| CAS | 112-39-0 |
| Molecular Weight (g/mol) | 270.457 |
| ChEBI | CHEBI:69187 |
| MDL Number | MFCD00008994 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC |
| Synonym | methyl palmitate,palmitic acid methyl ester,hexadecanoic acid, methyl ester,palmitic acid, methyl ester,uniphat a60,metholene 2216,methyl n-hexadecanoate,hexadecanoic acid methyl ester,n-hexadecanoic acid methyl ester,unii-dpy8vcm98i |
| IUPAC Name | methyl hexadecanoate |
| InChI Key | FLIACVVOZYBSBS-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
Estrone, 99+%, Thermo Scientific Chemicals
CAS: 53-16-7 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.36 InChI Key: DNXHEGUUPJUMQT-CBZIJGRNSA-N Synonym: estrone,folliculin,oestrone,theelin,estrovarin,estrugenone,follicular hormone,kestrone,estron,follicunodis PubChem CID: 5870 ChEBI: CHEBI:17263 IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
| PubChem CID | 5870 |
|---|---|
| CAS | 53-16-7 |
| Molecular Weight (g/mol) | 270.36 |
| ChEBI | CHEBI:17263 |
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
| Synonym | estrone,folliculin,oestrone,theelin,estrovarin,estrugenone,follicular hormone,kestrone,estron,follicunodis |
| IUPAC Name | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| InChI Key | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Molecular Formula | C18H22O2 |
p-Cymene, 99+%
CAS: 99-87-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Synonym: p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen PubChem CID: 7463 ChEBI: CHEBI:28768 IUPAC Name: 1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C
| PubChem CID | 7463 |
|---|---|
| CAS | 99-87-6 |
| Molecular Weight (g/mol) | 134.22 |
| ChEBI | CHEBI:28768 |
| MDL Number | MFCD00008893 |
| SMILES | CC1=CC=C(C=C1)C(C)C |
| Synonym | p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen |
| IUPAC Name | 1-methyl-4-propan-2-ylbenzene |
| InChI Key | HFPZCAJZSCWRBC-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
Citral, cis + trans, 95%
CAS: 5392-40-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006997 InChI Key: WTEVQBCEXWBHNA-JXMROGBWSA-N Synonym: citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb PubChem CID: 638011 ChEBI: CHEBI:16980 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal SMILES: CC(C)=CCC\C(C)=C\C=O
| PubChem CID | 638011 |
|---|---|
| CAS | 5392-40-5 |
| Molecular Weight (g/mol) | 152.24 |
| ChEBI | CHEBI:16980 |
| MDL Number | MFCD00006997 |
| SMILES | CC(C)=CCC\C(C)=C\C=O |
| Synonym | citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| InChI Key | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| Molecular Formula | C10H16O |
Thermo Scientific Chemicals 2-Deoxy-D-glucose, 98%
CAS: 154-17-6 Molecular Formula: C6H12O5 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00151328 InChI Key: PMMURAAUARKVCB-PHUJZJCSNA-N Synonym: deoxyglucose,2-deoxy-d-mannose,2-deoxy-d-arabinohexose,unii-9g2mp84a8w,d-arabino-hexose, 2-deoxy,arabino-hexose, 2-deoxy,d-glucose, 2-deoxy,3r,4s,5r-3,4,5,6-tetrahydroxyhexanal,2 deoxyglucose,2 deoxy d glucose PubChem CID: 17751002 IUPAC Name: (3S,4R,5S)-3,4,5,6-tetrahydroxyhexanal SMILES: OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O
| PubChem CID | 17751002 |
|---|---|
| CAS | 154-17-6 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00151328 |
| SMILES | OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O |
| Synonym | deoxyglucose,2-deoxy-d-mannose,2-deoxy-d-arabinohexose,unii-9g2mp84a8w,d-arabino-hexose, 2-deoxy,arabino-hexose, 2-deoxy,d-glucose, 2-deoxy,3r,4s,5r-3,4,5,6-tetrahydroxyhexanal,2 deoxyglucose,2 deoxy d glucose |
| IUPAC Name | (3S,4R,5S)-3,4,5,6-tetrahydroxyhexanal |
| InChI Key | PMMURAAUARKVCB-PHUJZJCSNA-N |
| Molecular Formula | C6H12O5 |