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BioLiP

PDB CCD ID: CY1
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O3 S
InChI: InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey: QFQYGJMNIDGZSG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NCSC[C@@H](C(=O)O)N
CACTVS 3.341CC(=O)NCSC[C@H](N)C(O)=O
ACDLabs 10.04O=C(NCSCC(C(=O)O)N)C
OpenEye OEToolkits 1.5.0CC(=O)NCSCC(C(=O)O)N
CACTVS 3.341CC(=O)NCSC[CH](N)C(O)=O
Name:ACETAMIDOMETHYLCYSTEINE
ZINC: ZINC000001806064
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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