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BioLiP

PDB CCD ID: PEZ
Number of entries in BioLiP: 2
Chemical formula: C4 H9 O6 P
InChI: InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKey: OETAGSCBSKODFW-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CC
CACTVS 3.341CC[C@@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341CC[CH](O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCC(C(=O)O)OP(=O)(O)O
Name:2-(PHOSPHONOOXY)BUTANOIC ACID
DrugBank: DB03248
ZINC: ZINC000012503329
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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