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BioLiP

PDB CCD ID: AMN
Number of entries in BioLiP: 3
Chemical formula: C12 H22 N2 O8
InChI: InChI=1S/C12H22N2O8/c1-5(15)14-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-13/h6-10,16-18H,3-4,13H2,1-2H3,(H,14,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
InChIKey: LMLQOZLLZRAPEM-MIDKXNQYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C1(OC)OC(C(O)C(O)CN)C(NC(=O)C)C(O)C1
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CN)O)O)(C(=O)O)OC)O
CACTVS 3.341CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[CH](O)CN)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O
CACTVS 3.341CO[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CN)C(O)=O
Name:methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID;
methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid;
methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-galacto-non-2-ulosidonic acid
ZINC: ZINC000005884110
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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