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BioLiP

PDB CCD ID: NEB
Number of entries in BioLiP: 0
Chemical formula: C6 H15 N2 O3
InChI: InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1/t2-,3+,4+,5-,6-
InChIKey: DTFAJAKTSMLKAT-JDCCYXBGSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5C1C(C(C(C(C1N)O)O)O)[NH3+]
CACTVS 3.385N[CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O
CACTVS 3.385N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(N)CC(C(O)C1O)[NH3+]
OpenEye OEToolkits 1.7.5C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]
Name:2-DEOXY-D-STREPTAMINE
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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