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BioLiP

PDB CCD ID: CXM
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4 S
InChI: InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey: LWQBAQJPCYBWJQ-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)NC(C(=O)O)CCSC
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)NC(=O)O
CACTVS 3.341CSCC[CH](NC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)NC(=O)O
CACTVS 3.341CSCC[C@H](NC(O)=O)C(O)=O
Name:N-CARBOXYMETHIONINE
DrugBank: DB02899
ZINC: ZINC000035264110
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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