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BioLiP

PDB CCD ID: 6OI
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N2 O7 S
InChI: InChI=1S/C7H16N2O7S/c8-4(7(11)12)1-2-6(10)5(9)3-16-17(13,14)15/h4-6,10H,1-3,8-9H2,(H,11,12)(H,13,14,15)/t4-,5-,6-/m0/s1
InChIKey: BPMKRAHMRLMOPA-ZLUOBGJFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CO[S](O)(=O)=O)[C@@H](O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7C(C[C@@H](C(=O)O)N)[C@@H]([C@H](COS(=O)(=O)O)N)O
CACTVS 3.385N[CH](CO[S](O)(=O)=O)[CH](O)CC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)N)C(C(COS(=O)(=O)O)N)O
Name:(2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic 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)(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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