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BioLiP

PDB CCD ID: EJA
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N2 O5 S
InChI: InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1
InChIKey: JQASJBGYGONXEA-TVLFVMPKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O
CACTVS 3.385N[CH](CSC(CC(O)=O)=NO)C(O)=O
CACTVS 3.385N[C@@H](CS\C(CC(O)=O)=N/O)C(O)=O
ACDLabs 12.01NC(CS\C(=N/O)CC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(C(C(=O)O)N)SC(=NO)CC(=O)O
Name:S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
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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