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BioLiP

PDB CCD ID: SMN
Number of entries in BioLiP: 8
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChIKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH](C(O)=O)c1ccccc1
CACTVS 3.341O[C@H](C(O)=O)c1ccccc1
ACDLabs 10.04O=C(O)C(O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H](C(=O)O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(C(=O)O)O
Name:(S)-MANDELIC ACID
ChEMBL: CHEMBL58910
DrugBank: DB03357
ZINC: ZINC000000000036
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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