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BioLiP

PDB CCD ID: 0V5
Number of entries in BioLiP: 21
Chemical formula: C3 H7 O6 P
InChI: InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
InChIKey: CSZRNWHGZPKNKY-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H](C(=O)O)OP(=O)(O)O
CACTVS 3.370C[CH](O[P](O)(O)=O)C(O)=O
CACTVS 3.370C[C@@H](O[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=P(OC(C(=O)O)C)(O)O
OpenEye OEToolkits 1.7.6CC(C(=O)O)OP(=O)(O)O
Name:(2R)-2-(phosphonooxy)propanoic acid
ChEMBL: CHEMBL1941138
DrugBank: DB01733
ZINC: ZINC000006491507
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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