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BioLiP

PDB CCD ID: PAN
Number of entries in BioLiP: 4
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:
SoftwareSMILES
CACTVS 3.341ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([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, Peter L 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).

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