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BioLiP

PDB CCD ID: DVC
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O4
InChI: InChI=1S/C7H15NO4/c1-4-7(10,11)6(2,8)3-5(9)12-4/h4-5,9-11H,3,8H2,1-2H3/t4-,5+,6-/m0/s1
InChIKey: ATGUYZRYRGIDLC-JKUQZMGJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1C(C(CC(O1)O)(C)N)(O)O
OpenEye OEToolkits 1.7.0C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O
ACDLabs 12.01OC1OC(C(O)(O)C(N)(C)C1)C
CACTVS 3.370C[CH]1O[CH](O)C[C](C)(N)C1(O)O
CACTVS 3.370C[C@@H]1O[C@@H](O)C[C@](C)(N)C1(O)O
Name:(2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
ZINC: ZINC000098208811
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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