Lipids and Lipid Derivatives
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1,11-Undecanedicarboxylic acid
CAS: 505-52-2 Molecular Formula: C13H24O4 Molecular Weight (g/mol): 244.33 InChI Key: DXNCZXXFRKPEPY-UHFFFAOYSA-N Synonym: brassylic acid,1,11-undecanedicarboxylic acid,brassilic acid,1,13-tridecanedioic acid,brassylate,unii-pl3iq40c34,undecane-1,11-dicarboxylic acid,tridecanedioate,dsstox_cid_1683,dsstox_rid_76281 PubChem CID: 10458 ChEBI: CHEBI:73718 IUPAC Name: tridecanedioic acid SMILES: C(CCCCCC(=O)O)CCCCCC(=O)O
| PubChem CID | 10458 |
|---|---|
| CAS | 505-52-2 |
| Molecular Weight (g/mol) | 244.33 |
| ChEBI | CHEBI:73718 |
| SMILES | C(CCCCCC(=O)O)CCCCCC(=O)O |
| Synonym | brassylic acid,1,11-undecanedicarboxylic acid,brassilic acid,1,13-tridecanedioic acid,brassylate,unii-pl3iq40c34,undecane-1,11-dicarboxylic acid,tridecanedioate,dsstox_cid_1683,dsstox_rid_76281 |
| IUPAC Name | tridecanedioic acid |
| InChI Key | DXNCZXXFRKPEPY-UHFFFAOYSA-N |
| Molecular Formula | C13H24O4 |
n-Capric Acid, MP Biomedicals
CAS: 334-48-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: GHVNFZFCNZKVNT-UHFFFAOYSA-N Synonym: capric acid,n-decanoic acid,n-capric acid,decylic acid,caprinic acid,decoic acid,n-decylic acid,n-decoic acid,1-nonanecarboxylic acid,caprynic acid PubChem CID: 2969 ChEBI: CHEBI:30813 IUPAC Name: decanoic acid SMILES: CCCCCCCCCC(=O)O
| PubChem CID | 2969 |
|---|---|
| CAS | 334-48-5 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:30813 |
| SMILES | CCCCCCCCCC(=O)O |
| Synonym | capric acid,n-decanoic acid,n-capric acid,decylic acid,caprinic acid,decoic acid,n-decylic acid,n-decoic acid,1-nonanecarboxylic acid,caprynic acid |
| IUPAC Name | decanoic acid |
| InChI Key | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
Methyl acetoacetate, 99+%
CAS: 105-45-3 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00008784 InChI Key: WRQNANDWMGAFTP-UHFFFAOYSA-N Synonym: methyl acetoacetate,acetoacetic acid methyl ester,methylacetoacetate,methyl 3-oxobutyrate,butanoic acid, 3-oxo-, methyl ester,methyl acetylacetate,methyl acetylacetonate,3-oxobutanoic acid methyl ester,acetoacetic methyl ester,acetoacetic acid, methyl ester PubChem CID: 7757 IUPAC Name: methyl 3-oxobutanoate SMILES: COC(=O)CC(C)=O
| PubChem CID | 7757 |
|---|---|
| CAS | 105-45-3 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD00008784 |
| SMILES | COC(=O)CC(C)=O |
| Synonym | methyl acetoacetate,acetoacetic acid methyl ester,methylacetoacetate,methyl 3-oxobutyrate,butanoic acid, 3-oxo-, methyl ester,methyl acetylacetate,methyl acetylacetonate,3-oxobutanoic acid methyl ester,acetoacetic methyl ester,acetoacetic acid, methyl ester |
| IUPAC Name | methyl 3-oxobutanoate |
| InChI Key | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
4-Isopropylbenzyl alcohol, 97%
CAS: 536-60-7 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00004663 InChI Key: OIGWAXDAPKFNCQ-UHFFFAOYSA-N Synonym: 4-isopropylbenzyl alcohol,cuminol,cumic alcohol,cuminyl alcohol,cuminic alcohol,4-isopropylphenyl methanol,cumyl alcohol,p-cymen-7-ol,cumin alcohol,p-isopropylbenzyl alcohol PubChem CID: 325 ChEBI: CHEBI:27628 IUPAC Name: (4-propan-2-ylphenyl)methanol SMILES: CC(C)C1=CC=C(C=C1)CO
| PubChem CID | 325 |
|---|---|
| CAS | 536-60-7 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:27628 |
| MDL Number | MFCD00004663 |
| SMILES | CC(C)C1=CC=C(C=C1)CO |
| Synonym | 4-isopropylbenzyl alcohol,cuminol,cumic alcohol,cuminyl alcohol,cuminic alcohol,4-isopropylphenyl methanol,cumyl alcohol,p-cymen-7-ol,cumin alcohol,p-isopropylbenzyl alcohol |
| IUPAC Name | (4-propan-2-ylphenyl)methanol |
| InChI Key | OIGWAXDAPKFNCQ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
S-Butyrylthiocholine iodide, 98%
CAS: 1866-16-6 Molecular Formula: C9H20INOS Molecular Weight (g/mol): 317.22 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) | 317.22 |
| 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 |
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 |
8-Methylnonanoic acid, 97%
CAS: 5963-14-4 Molecular Formula: C10H19O2 Molecular Weight (g/mol): 171.26 MDL Number: MFCD00044086 InChI Key: OAOABCKPVCUNKO-UHFFFAOYSA-M Synonym: isodecanoic acid,isocapric acid,unii-lw5786qckt,8-methyl-nonanoic acid,lw5786qckt,nonanoic acid, 8-methyl,versatic acid PubChem CID: 111470 IUPAC Name: 8-methylnonanoic acid SMILES: CC(C)CCCCCCC([O-])=O
| PubChem CID | 111470 |
|---|---|
| CAS | 5963-14-4 |
| Molecular Weight (g/mol) | 171.26 |
| MDL Number | MFCD00044086 |
| SMILES | CC(C)CCCCCCC([O-])=O |
| Synonym | isodecanoic acid,isocapric acid,unii-lw5786qckt,8-methyl-nonanoic acid,lw5786qckt,nonanoic acid, 8-methyl,versatic acid |
| IUPAC Name | 8-methylnonanoic acid |
| InChI Key | OAOABCKPVCUNKO-UHFFFAOYSA-M |
| Molecular Formula | C10H19O2 |
trans,trans-2,4-Decadien-1-ol, 90%, remainder mainly trans, cis isomer
CAS: 18409-21-7 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014052 InChI Key: NUBWFSDCZULDCI-BLHCBFLLSA-N Synonym: 2,4-decadien-1-ol,2e,4e-2,4-decadien-1-ol,2e,4e-deca-2,4-dien-1-ol,e,e-2,4-decadien-1-ol,unii-21kkw523r4,trans,trans-2,4-decadien-1-ol,trans,trans-2,4-decadienol,2,4-decadien-1-ol, 2e,4e,trans-2,4-decadienol,2,4-decadien-1-ol, e,e PubChem CID: 5362696 IUPAC Name: (2E,4E)-deca-2,4-dien-1-ol SMILES: CCCCC\C=C\C=C\CO
| PubChem CID | 5362696 |
|---|---|
| CAS | 18409-21-7 |
| Molecular Weight (g/mol) | 154.25 |
| MDL Number | MFCD00014052 |
| SMILES | CCCCC\C=C\C=C\CO |
| Synonym | 2,4-decadien-1-ol,2e,4e-2,4-decadien-1-ol,2e,4e-deca-2,4-dien-1-ol,e,e-2,4-decadien-1-ol,unii-21kkw523r4,trans,trans-2,4-decadien-1-ol,trans,trans-2,4-decadienol,2,4-decadien-1-ol, 2e,4e,trans-2,4-decadienol,2,4-decadien-1-ol, e,e |
| IUPAC Name | (2E,4E)-deca-2,4-dien-1-ol |
| InChI Key | NUBWFSDCZULDCI-BLHCBFLLSA-N |
| Molecular Formula | C10H18O |
4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid, 98%
CAS: 338-03-4 Molecular Formula: C5H7F3O3 Molecular Weight (g/mol): 172.103 MDL Number: MFCD00039531 InChI Key: JCJGOWYCFRASTM-UHFFFAOYSA-N Synonym: 3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid PubChem CID: 136168 IUPAC Name: 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid SMILES: CC(CC(=O)O)(C(F)(F)F)O
| PubChem CID | 136168 |
|---|---|
| CAS | 338-03-4 |
| Molecular Weight (g/mol) | 172.103 |
| MDL Number | MFCD00039531 |
| SMILES | CC(CC(=O)O)(C(F)(F)F)O |
| Synonym | 3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid |
| IUPAC Name | 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid |
| InChI Key | JCJGOWYCFRASTM-UHFFFAOYSA-N |
| Molecular Formula | C5H7F3O3 |
3-Deoxy-D-glucosone, 95%, Thermo Scientific Chemicals
CAS: 4084-27-9 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.141 MDL Number: MFCD01723101 InChI Key: ZGCHLOWZNKRZSN-NTSWFWBYSA-N Synonym: 3-deoxyglucosone,3-deoxy-d-glucosone,3-deoxy-d-erythro-hexos-2-ulose,d-3-deoxyglucosone,3-deoxy-d-erythro-hexosulose,3-deoxy-d-fructose,ccris 4272,3-deoxy-2-ketoglucose,d-erythro-hexos-2-ulose, 3-deoxy,unii-exv5374vey PubChem CID: 114839 ChEBI: CHEBI:60777 IUPAC Name: (4S,5R)-4,5,6-trihydroxy-2-oxohexanal SMILES: C(C(C(CO)O)O)C(=O)C=O
| PubChem CID | 114839 |
|---|---|
| CAS | 4084-27-9 |
| Molecular Weight (g/mol) | 162.141 |
| ChEBI | CHEBI:60777 |
| MDL Number | MFCD01723101 |
| SMILES | C(C(C(CO)O)O)C(=O)C=O |
| Synonym | 3-deoxyglucosone,3-deoxy-d-glucosone,3-deoxy-d-erythro-hexos-2-ulose,d-3-deoxyglucosone,3-deoxy-d-erythro-hexosulose,3-deoxy-d-fructose,ccris 4272,3-deoxy-2-ketoglucose,d-erythro-hexos-2-ulose, 3-deoxy,unii-exv5374vey |
| IUPAC Name | (4S,5R)-4,5,6-trihydroxy-2-oxohexanal |
| InChI Key | ZGCHLOWZNKRZSN-NTSWFWBYSA-N |
| Molecular Formula | C6H10O5 |
Palmitic Acid, FCC, Spectrum™ Chemical
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CAS: 57-10-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00002747 InChI Key: IPCSVZSSVZVIGE-UHFFFAOYSA-N IUPAC Name: hexadecanoic acid SMILES: CCCCCCCCCCCCCCCC(O)=O
| CAS | 57-10-3 |
|---|---|
| Molecular Weight (g/mol) | 256.43 |
| MDL Number | MFCD00002747 |
| SMILES | CCCCCCCCCCCCCCCC(O)=O |
| IUPAC Name | hexadecanoic acid |
| InChI Key | IPCSVZSSVZVIGE-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
alpha-Terpineol, 95%, mixture of alpha- and gamma-terpineol
CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O
| PubChem CID | 17100 |
|---|---|
| CAS | 98-55-5 |
| Molecular Weight (g/mol) | 154.25 |
| ChEBI | CHEBI:22469 |
| MDL Number | MFCD00001557 |
| SMILES | CC1=CCC(CC1)C(C)(C)O |
| Synonym | alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol |
| IUPAC Name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| InChI Key | WUOACPNHFRMFPN-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
Suberic acid, 99%
CAS: 505-48-6 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00004428 InChI Key: TYFQFVWCELRYAO-UHFFFAOYSA-N Synonym: suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h PubChem CID: 10457 ChEBI: CHEBI:9300 IUPAC Name: octanedioic acid SMILES: OC(=O)CCCCCCC(O)=O
| PubChem CID | 10457 |
|---|---|
| CAS | 505-48-6 |
| Molecular Weight (g/mol) | 174.20 |
| ChEBI | CHEBI:9300 |
| MDL Number | MFCD00004428 |
| SMILES | OC(=O)CCCCCCC(O)=O |
| Synonym | suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h |
| IUPAC Name | octanedioic acid |
| InChI Key | TYFQFVWCELRYAO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
1,9-Nonanediol, 98%
CAS: 3937-56-2 Molecular Formula: C9H20O2 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00002991 InChI Key: ALVZNPYWJMLXKV-UHFFFAOYSA-N Synonym: 1,9-nonanediol,1,9-dihydroxynonane,.alpha.,.omega.-nonanediol,nonamethylene glycol,alpha,omega-nonanediol,1,9-nonandiol,1,9-nonane-diol,nonan-1,9-diol,acmc-209j4x PubChem CID: 19835 IUPAC Name: nonane-1,9-diol SMILES: C(CCCCO)CCCCO
| PubChem CID | 19835 |
|---|---|
| CAS | 3937-56-2 |
| Molecular Weight (g/mol) | 160.26 |
| MDL Number | MFCD00002991 |
| SMILES | C(CCCCO)CCCCO |
| Synonym | 1,9-nonanediol,1,9-dihydroxynonane,.alpha.,.omega.-nonanediol,nonamethylene glycol,alpha,omega-nonanediol,1,9-nonandiol,1,9-nonane-diol,nonan-1,9-diol,acmc-209j4x |
| IUPAC Name | nonane-1,9-diol |
| InChI Key | ALVZNPYWJMLXKV-UHFFFAOYSA-N |
| Molecular Formula | C9H20O2 |
n-Decyl acetate, 98%
CAS: 112-17-4 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00026538 InChI Key: NUPSHWCALHZGOV-UHFFFAOYSA-N Synonym: n-decyl acetate,acetic acid, decyl ester,n-decyl ethanoate,1-decanol acetate,decyl ethanoate,acetate c 10,decanyl acetate,1-decyl acetate,acetic acid n-decyl ester,decanol acetate PubChem CID: 8167 IUPAC Name: decyl acetate SMILES: CCCCCCCCCCOC(C)=O
| PubChem CID | 8167 |
|---|---|
| CAS | 112-17-4 |
| Molecular Weight (g/mol) | 200.32 |
| MDL Number | MFCD00026538 |
| SMILES | CCCCCCCCCCOC(C)=O |
| Synonym | n-decyl acetate,acetic acid, decyl ester,n-decyl ethanoate,1-decanol acetate,decyl ethanoate,acetate c 10,decanyl acetate,1-decyl acetate,acetic acid n-decyl ester,decanol acetate |
| IUPAC Name | decyl acetate |
| InChI Key | NUPSHWCALHZGOV-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |