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BioLiP

PDB CCD ID: LM8
Number of entries in BioLiP: 4
Chemical formula: C21 H34 O2
InChI: InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1
InChIKey: PIZRMBAQQYSBSA-URRNNGNDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O
CACTVS 3.385CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O
CACTVS 3.385CCCCC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)=O
ACDLabs 12.01O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCCC)C
Name:(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid;
(5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid
ZINC: ZINC000215992109
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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