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BioLiP Library

PDB CCD ID: BB7
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O3 S
InChI: InChI=1S/C5H9NO3S/c1-9-2-3(10)4(6)5(7)8/h10H,2,6H2,1H3,(H,7,8)/b4-3-
InChIKey: JPINPMIDZIQLCC-ARJAWSKDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COCC(S)=C(N)C(O)=O
ACDLabs 10.04O=C(O)/C(N)=C(/S)COC
CACTVS 3.352COCC(/S)=C(/N)C(O)=O
OpenEye OEToolkits 1.6.1COCC(=C(C(=O)O)N)S
OpenEye OEToolkits 1.6.1COC/C(=C(\C(=O)O)/N)/S
Name:(2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid
ZINC: ZINC000103533676
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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