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BioLiP Library

PDB CCD ID: BB6
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O2 S
InChI: InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2-
InChIKey: UDVAMSWYAZEHGC-IHWYPQMZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(/S)=C(/N)C(O)=O
ACDLabs 10.04O=C(O)/C(N)=C(/S)C
OpenEye OEToolkits 1.6.1C/C(=C(\C(=O)O)/N)/S
CACTVS 3.352CC(S)=C(N)C(O)=O
OpenEye OEToolkits 1.6.1CC(=C(C(=O)O)N)S
Name:(2Z)-2-amino-3-sulfanylbut-2-enoic acid
ZINC: ZINC000103533667
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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