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BioLiP

PDB CCD ID: 11O
Number of entries in BioLiP: 1
Chemical formula: C18 H32 O4
InChI: InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16+,18+/m0/s1
InChIKey: UZCLYICSWADYGM-RXWDXHPSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC[C@H]1O[C@@H]1[C@@H](O)\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC1C(O1)C(C=CCCCCCCCC(=O)O)O
OpenEye OEToolkits 1.5.0CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O
CACTVS 3.341CCCCC[CH]1O[CH]1[CH](O)C=CCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCC/C=C\C(O)C1OC1CCCCC
Name:(TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID
ZINC: ZINC000005973326
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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