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BioLiP Library

PDB CCD ID: 7E9
Number of entries in BioLiP: 0
Chemical formula: C17 H32 O4
InChI: InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-
InChIKey: SSMGVWSPWWDBRB-FPLPWBNLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OC(CO)CO)CCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.7.0CCCCCC/C=C\CCCCCC(=O)OC(CO)CO
CACTVS 3.370CCCCCC\C=C/CCCCCC(=O)OC(CO)CO
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCCCCC=CCCCCCC(=O)OC(CO)CO
Name:1,3-DIHYDROXYPROPAN-2-YL (Z)-TETRADEC-7-ENOATE
ZINC: ZINC000095921216
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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