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BioLiP

PDB CCD ID: T7C
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O3 S
InChI: InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
InChIKey: MUBXWBWLTBTNGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)CNCCSCCC(O)=O
OpenEye OEToolkits 2.0.7C(CSCCNCC(=O)N)C(=O)O
ACDLabs 12.01O=C(N)CNCCSCCC(=O)O
Name:3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
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).
  • 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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