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BioLiP

PDB CCD ID: 2JD
Number of entries in BioLiP: 0
Chemical formula: C6 H13 O7 P
InChI: InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1
InChIKey: SVZWVVFMSSSVKX-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.9.2CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.9.2CC(C)(COP(=O)(O)O)C(C(=O)O)O
ACDLabs 12.01O=P(OCC(C(O)C(=O)O)(C)C)(O)O
Name:(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid
ZINC: ZINC000062233261
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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