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BioLiP

PDB CCD ID: 3PG
Number of entries in BioLiP: 9
Chemical formula: C3 H7 O7 P
InChI: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey: OSJPPGNTCRNQQC-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(=O)O
Name:3-PHOSPHOGLYCERIC ACID
ChEMBL: CHEMBL1160563
DrugBank: DB04510
ZINC: ZINC000003869934
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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