EIC
LINOLEIC ACID
Created: | 2001-04-20 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 0 |
Bond Count | 51 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | LINOLEIC ACID |
Synonyms | 9,12-LINOLEIC ACID |
Systematic Name (OpenEye OEToolkits) | (9Z,12Z)-octadeca-9,12-dienoic acid |
Formula | C18 H32 O2 |
Molecular Weight | 280.445 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCC\C=C/C\C=C/CCCCC |
SMILES | CACTVS | 3.341 | CCCCCC=CCC=CCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC=CCCCCCCCC(=O)O |
Canonical SMILES | CACTVS | 3.341 | CCCCC/C=C\C\C=C/CCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C/C\C=C/CCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
InChIKey | InChI | 1.03 | OYHQOLUKZRVURQ-HZJYTTRNSA-N |
Drug Info: DrugBank
DrugBank ID | DB14104 |
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Name | Linoleic acid |
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CAS number | 60-33-3 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL267476 |
PubChem | 5280450 |
ChEMBL | CHEMBL267476 |
ChEBI | CHEBI:17351, CHEBI:137735 |