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BioLiP

PDB CCD ID: MN0
Number of entries in BioLiP: 4
Chemical formula: C12 H21 N O10
InChI: InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1
InChIKey: NFUCYHODBBSMAK-BLMTXZDNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2COC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)CO)O)C(=O)O
OpenEye OEToolkits 1.7.2CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O
ACDLabs 12.01O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
CACTVS 3.370CO[C]1(C[CH](O)[CH](NC(=O)CO)[CH](O1)[CH](O)[CH](O)CO)C(O)=O
CACTVS 3.370CO[C@@]1(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
Name:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-galacto-non-2-ulosidonic 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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