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BioLiP Library

PDB CCD ID: 7E8
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)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1
InChIKey: LVBAGTJIDOCNIJ-XITLMJRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCC
CACTVS 3.370CCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.7.0CCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 1.7.0CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.370CCCCCCC=CCCCCCC(=O)OC[CH](O)CO
Name:(2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE;
7.7 MAG
ZINC: ZINC000095921217
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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