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BioLiP

PDB CCD ID: UG6
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O3 S
InChI: InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKey: QTKAQJWFVXPIFV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[CH](CS)NC(C)=O
CACTVS 3.385COC(=O)[C@H](CS)NC(C)=O
ACDLabs 12.01COC(=O)C(NC(=O)C)CS
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H](CS)C(=O)OC
OpenEye OEToolkits 2.0.7CC(=O)NC(CS)C(=O)OC
Name:methyl N-acetyl-L-cysteinate
ZINC: ZINC000004521105
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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