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BioLiP

PDB CCD ID: P8E
Number of entries in BioLiP: 248
Chemical formula: C9 H18 N2 O6
InChI: InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1
InChIKey: ZFZFJUIKYIVPNP-YXGHPGITSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O
OpenEye OEToolkits 2.0.7C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O
ACDLabs 12.01CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
CACTVS 3.385C[C@H](O)[C@H](N)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1N)C(O)=O
CACTVS 3.385C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O
Name:5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic 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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