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BioLiP Library

PDB CCD ID: CSA
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3 S
InChI: InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey: BYMSHHJFWDLNBG-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)CSC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)CSCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSCC(=O)C
OpenEye OEToolkits 1.5.0CC(=O)CSC[C@@H](C(=O)O)N
CACTVS 3.341CC(=O)CSC[CH](N)C(O)=O
Name:S-ACETONYLCYSTEINE
DrugBank: DB03858
ZINC: ZINC000006761318
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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