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BioLiP

PDB CCD ID: T24
Number of entries in BioLiP: 1
Chemical formula: C18 H30 O3
InChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKey: KLLGGGQNRTVBSU-FQSPHKRJSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC/C=C\C=C\C(O)C\C=C/CC
OpenEye OEToolkits 1.5.0CCC=CCC(C=CC=CCCCCCCCC(=O)O)O
OpenEye OEToolkits 1.5.0CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O
CACTVS 3.341CCC=CC[CH](O)C=CC=CCCCCCCCC(O)=O
CACTVS 3.341CC\C=C/C[C@H](O)/C=C/C=C\CCCCCCCC(O)=O
Name:(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
ZINC: ZINC000034961834
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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