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BioLiP

PDB CCD ID: HBU
Number of entries in BioLiP: 2
Chemical formula: C5 H9 O5 P
InChI: InChI=1S/C5H9O5P/c1-11(9,10)3-4(6)2-5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey: MZTALSPOBPYJPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[P](O)(=O)CC(=O)CC(O)=O
ACDLabs 10.04O=C(CC(=O)O)CP(=O)(O)C
OpenEye OEToolkits 1.5.0C[P@](=O)(CC(=O)CC(=O)O)O
OpenEye OEToolkits 1.5.0CP(=O)(CC(=O)CC(=O)O)O
CACTVS 3.341C[P@](O)(=O)CC(=O)CC(O)=O
Name:4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID
DrugBank: DB01832
ZINC: ZINC000003581252
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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