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BioLiP

PDB CCD ID: 04F
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O5 S
InChI: InChI=1S/C7H14N2O5S/c8-5(7(11)15(12,13)14)3-4-1-2-9-6(4)10/h4-5,7,11H,1-3,8H2,(H,9,10)(H,12,13,14)/t4-,5-,7?/m0/s1
InChIKey: XADNOHUHGUXHMN-CNGBTNQNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](C[CH]1CCNC1=O)[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 1.7.6C1CNC(=O)C1CC(C(O)S(=O)(=O)O)N
OpenEye OEToolkits 1.7.6C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N
CACTVS 3.370N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)[S](O)(=O)=O
ACDLabs 12.01O=C1NCCC1CC(N)C(O)S(=O)(=O)O
Name:(1S,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic 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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