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BioLiP

PDB CCD ID: 6OB
Number of entries in BioLiP: 1
Chemical formula: C18 H30 O4
InChI: InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1
InChIKey: OJFOOCZBVPQYRS-PSDPTOBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O
ACDLabs 10.04O=C(O)CCCCC(=O)C/C=C/C(O)C\C=C/CCCCC
CACTVS 3.341CCCCCC=CC[CH](O)C=CCC(=O)CCCCC(O)=O
CACTVS 3.341CCCCC\C=C/C[C@H](O)\C=C\CC(=O)CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC(C=CCC(=O)CCCCC(=O)O)O
Name:(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
DrugBank: DB07208
ZINC: ZINC000053682984
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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