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BioLiP

PDB CCD ID: SCY
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O3 S
InChI: InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
InChIKey: XCIRMLHOFVDUDP-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)SC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CSC(=O)C
CACTVS 3.341CC(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)SCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)SC[C@@H](C(=O)O)N
Name:S-ACETYL-CYSTEINE
DrugBank: DB02039
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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