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BioLiP

PDB CCD ID: ALT
Number of entries in BioLiP: 0
Chemical formula: C3 H7 N O S
InChI: InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey: YXXURDJTDAAEPH-REOHCLBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04S=C(O)C(N)C
CACTVS 3.341C[CH](N)C(O)=S
CACTVS 3.341C[C@H](N)C(O)=S
OpenEye OEToolkits 1.5.0CC(C(=S)O)N
OpenEye OEToolkits 1.5.0C[C@@H](C(=S)O)N
Name:THIOALANINE
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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