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BioLiP

PDB CCD ID: TQZ
Number of entries in BioLiP: 0
Chemical formula: C3 H7 N O2 S5
InChI: InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey: CEIOEWJDORMPCY-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(C(=O)O)N)SSSSS
CACTVS 3.385N[CH](CSSSSS)C(O)=O
OpenEye OEToolkits 1.9.2C([C@@H](C(=O)O)N)SSSSS
CACTVS 3.385N[C@@H](CSSSSS)C(O)=O
ACDLabs 12.01O=C(O)C(N)CSSSSS
Name:2-AMINO-3-PENTASULFANYLPROPAN-1-OL
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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