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BioLiP

PDB CCD ID: SAA
Number of entries in BioLiP: 0
Chemical formula: C9 H10 O3
InChI: InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1/f/h10H
InChIKey: NWCHELUCVWSRRS-DXYXSKIKDD
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(c1ccccc1)(C(=O)O)O
ACDLabs 10.04O=C(O)C(O)(c1ccccc1)C
OpenEye OEToolkits 1.5.0C[C@](c1ccccc1)(C(=O)O)O
CACTVS 3.341C[C](O)(C(O)=O)c1ccccc1
CACTVS 3.341C[C@@](O)(C(O)=O)c1ccccc1
Name:(S)-ATROLACTIC ACID;
(S)-2-HYDROXY-2-PHENYLPROPIONIC ACID;
(S)-ALPHA-METHYLMANDELIC ACID
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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