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BioLiP

PDB CCD ID: QMB
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2 S
InChI: InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKey: TUMGFDAVJXBHMU-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C(CC(C(=O)O)N)CS
CACTVS 3.385N[CH](CCCS)C(O)=O
CACTVS 3.385N[C@@H](CCCS)C(O)=O
OpenEye OEToolkits 3.1.0.0C(C[C@@H](C(=O)O)N)CS
Name:5-Mercapto-norvaline;
(2S)-2-azanyl-5-sulfanyl-pentanoic 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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