BioLiP

PDB

BioLiP

PDB CCD ID:

PAN

Number of entries in BioLiP:

Chemical formula:

C5 H12 N O9 P

InChI:

InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1

InChIKey:

OHQFMJPEBPCIEQ-JJYYJPOSSA-N

SMILES:

Software	SMILES
CACTVS 3.341	ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341	ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
OpenEye OEToolkits 1.5.0	C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O

Name:

5-PHOSPHO-D-ARABINOHYDROXAMIC ACID

ChEMBL:

CHEMBL1235136

DrugBank:

DB02093

ZINC:

ZINC000005830355

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).