BioLiP

PDB

BioLiP

PDB CCD ID:

X4A

Number of entries in BioLiP:

Chemical formula:

C5 H11 O8 P

InChI:

InChI=1S/C5H11O8P/c6-3-1-4(7)13-5(3,8)2-12-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4-,5+/m0/s1

InChIKey:

SJMLCPWMIBHTKX-VAYJURFESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1O)(COP(=O)(O)O)O)O
ACDLabs 10.04	O=P(OCC1(O)OC(O)CC1O)(O)O
CACTVS 3.341	O[CH]1C[CH](O)[C](O)(CO[P](O)(O)=O)O1
CACTVS 3.341	O[C@@H]1C[C@H](O)[C@@](O)(CO[P](O)(O)=O)O1

Name:

[(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE

ZINC:

ZINC000058650575

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).