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BioLiP

PDB CCD ID: M74
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)/t7-,8+/m1/s1
InChIKey: BNOUUNAFHCJIJD-SFYZADRCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(C(C(=O)O)O)O
CACTVS 3.385O[CH]([CH](O)c1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O
ACDLabs 12.01O=C(O)C(O)C(O)c1ccccc1
CACTVS 3.385O[C@@H]([C@H](O)c1ccccc1)C(O)=O
Name:(2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid
ZINC: ZINC000000167492
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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