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BioLiP

PDB CCD ID: ODT
Number of entries in BioLiP: 2
Chemical formula: C18 H30 O2
InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
InChIKey: ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC=CC=CC=CCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCC\C=C\C=C\C=C/CC
CACTVS 3.341CCC=CC=CC=CCCCCCCCCCC(O)=O
CACTVS 3.341CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O
Name:(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID;
11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID
DrugBank: DB04747
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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