BioLiP

PDB

BioLiP

PDB CCD ID:

GG6

Number of entries in BioLiP:

Chemical formula:

C3 H9 O5 P

InChI:

InChI=1S/C3H9O5P/c1-2(4)3(5)9(6,7)8/h2-5H,1H3,(H2,6,7,8)/t2-,3-/m0/s1

InChIKey:

MXMXXUIOCREOTJ-HRFVKAFMSA-N

SMILES:

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

Name:

[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID

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).