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BioLiP

PDB CCD ID: 79N
Number of entries in BioLiP: 14
Chemical formula: C19 H36 O4
InChI: InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m0/s1
InChIKey: OWGMAJRKMYGYBQ-LPADLIQXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O
Name:(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
ZINC: ZINC000221534416
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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