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BioLiP Library

PDB CCD ID: A6L
Number of entries in BioLiP: 17
Chemical formula: C21 H40 O4
InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO
OpenEye OEToolkits 2.0.6CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
ACDLabs 12.01C(C(OCC(CO)O)=O)CCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Name:2,3-dihydroxypropyl (9Z)-octadec-9-enoate;
monoolein
ChEMBL: CHEMBL428593
DrugBank: DB13171
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)(download the PDF file).
  • 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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