BioLiP

PDB

BioLiP

PDB CCD ID:

NKN

Number of entries in BioLiP:

Chemical formula:

C17 H35 O7 P

InChI:

InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1

InChIKey:

FAZBDRGXCKPVJU-MRXNPFEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370	CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01	O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O
OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CACTVS 3.370	CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O

Name:

(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate;
14:0 LPA;
myristoyl lysophosphatidic acid

ChEMBL:

CHEMBL1615121

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).