N-Glycolylneuraminic acid

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Systematic / IUPAC Name: (2S,4S,5R,6R)-2,4-Dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ID: Reference1380

Other Names: N-Glycolylneuraminate;
Neuraminic acid, N-glycolyl-;
3,5-Dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-2-nonulosonic acid ;
3,5-Dideoxy-5-(glycoloylamino)-D-glycero-β-D-galacto-non-2-ulopyranosonic acid

Formula: C11H19NO10

Class: Endogenous Metabolites

Spectral Data

N-Glycolylneuraminic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 194
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 12:27:32 PM
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Identificators

InChI InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
InChI Key FDJKUWYYUZCUJX-AJKRCSPLSA-N
Canonical SMILES C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)O
CAS 1113833
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Other Names N-Glycolylneuraminate;
Neuraminic acid, N-glycolyl-;
3,5-Dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-2-nonulosonic acid ;
3,5-Dideoxy-5-(glycoloylamino)-D-glycero-β-D-galacto-non-2-ulopyranosonic acid

In Other Databases

ChEBI CHEBI:62084
PubChem 123802
ChemIDPlus 001113833
Wikipedia N-Glycolylneuraminic acid
HMDb HMDB00833
ChEMBL CHEMBL496421
ChemSpider 3794850