BioLiP

PDB

BioLiP

PDB CCD ID:

P2A

Number of entries in BioLiP:

Chemical formula:

C7 H13 O8 P

InChI:

InChI=1S/C7H13O8P/c1-5(8)13-3-7(15-6(2)9)4-14-16(10,11)12/h7H,3-4H2,1-2H3,(H2,10,11,12)/t7-/m1/s1

InChIKey:

GYIRJTRGVDOQDH-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)OCC(COP(=O)(O)O)OC(=O)C
ACDLabs 10.04	O=P(O)(OCC(OC(=O)C)COC(=O)C)O
CACTVS 3.341	CC(=O)OC[CH](CO[P](O)(O)=O)OC(C)=O
CACTVS 3.341	CC(=O)OC[C@H](CO[P](O)(O)=O)OC(C)=O
OpenEye OEToolkits 1.5.0	CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C

Name:

1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE

ZINC:

ZINC000002012449

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).