BioLiP

PDB

BioLiP

PDB CCD ID:

DRZ

Number of entries in BioLiP:

Chemical formula:

C5 H11 O7 P

InChI:

InChI=1S/C5H11O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h2,4-5,7-8H,1,3H2,(H2,9,10,11)/t4-,5+/m0/s1

InChIKey:

ALQNUOMIEBHXQG-CRCLSJGQSA-N

SMILES:

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

Name:

3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATE

ZINC:

ZINC000002522549

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).