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BioLiP Library

PDB CCD ID: AEA
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O3 S
InChI: InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
InChIKey: ZCLNAXHSEATOAW-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@H](C(=O)N)N)SCC(=O)O
ACDLabs 12.01NC(CSCC(=O)O)C(N)=O
CACTVS 3.385N[C@H](CSCC(O)=O)C(N)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)N)N)SCC(=O)O
CACTVS 3.385N[CH](CSCC(O)=O)C(N)=O
Name:(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID
ZINC: ZINC000006360521
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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