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BioLiP Library

PDB CCD ID: 3PB
Number of entries in BioLiP: 6
Chemical formula: C4 H9 O6 P
InChI: InChI=1S/C4H9O6P/c1-3(2-4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKey: CEWUUYVGYVJSGW-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CC(=O)O)OP(=O)(O)O
CACTVS 3.341C[C@H](CC(O)=O)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(CC(=O)O)C
CACTVS 3.341C[CH](CC(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@H](CC(=O)O)OP(=O)(O)O
Name:(3R)-3-(phosphonooxy)butanoic acid
ZINC: ZINC000058638456
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)(download the PDF file).
  • 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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