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BioLiP

PDB CCD ID: OCS
Number of entries in BioLiP: 4
Chemical formula: C3 H7 N O5 S
InChI: InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey: XVOYSCVBGLVSOL-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H](C(=O)O)N)S(=O)(=O)O
CACTVS 3.385N[CH](C[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=S(=O)(O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](C[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)S(=O)(=O)O
Name:CYSTEINESULFONIC ACID
DrugBank: DB03661
ZINC: ZINC000004228276
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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