PDB CCD ID: | VCA |
Number of entries in BioLiP: | 23 |
Chemical formula: | C18 H34 O2 |
InChI: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- |
InChIKey: | UWHZIFQPPBDJPM-FPLPWBNLSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(O)CCCCCCCCC\C=C/CCCCCC | CACTVS 3.370 | CCCCCC\C=C/CCCCCCCCCC(O)=O | OpenEye OEToolkits 1.7.6 | CCCCCCC=CCCCCCCCCCC(=O)O | CACTVS 3.370 | CCCCCCC=CCCCCCCCCCC(O)=O |
|
Name: | VACCENIC ACID; (11E)-OCTADEC-11-ENOIC ACID |
ChEMBL: | CHEMBL1236642 |
DrugBank: | DB04801 |
ZINC: | ZINC000014881303 |