EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28695 - N-acetyl-2,7-anhydro-α-neuraminic acid

ChEBI IDCHEBI:28695
ChEBI NameN-acetyl-2,7-anhydro-α-neuraminic acid
Stars
ASCII NameN-acetyl-2,7-anhydro-alpha-neuraminic acid
Secondary ChEBI IDsCHEBI:960, CHEBI:19406, CHEBI:45584
Last Modified3 August 2014
DownloadsMolfile
FormulaC11H17NO8
Net Charge0
Average Mass291.256
Monoisotopic Mass291.09542
SMILES[H][C@]1([C@H](O)CO)O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2
InChIInChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeyNCMJSVDTRDLWJE-YRMXFSIDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695) is a N-acetylneuraminic acids (CHEBI:21622)
N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695) is a anhydro sugar derivative (CHEBI:63378)
N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695) is conjugate acid of N-acetyl-2,7-anhydro-α-neuraminate (CHEBI:229228)
Incoming Relation(s)
N-acetyl-2,7-anhydro-α-neuraminate (CHEBI:229228) is conjugate base of N-acetyl-2,7-anhydro-α-neuraminic acid (CHEBI:28695)
IUPAC Name 
5-acetamido-2,7-anhydro-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
2,7-Anhydro-alpha-N-acetylneuraminic acidKEGG COMPOUND
(1R,2R,3S,5S,7R)-2-acetamido-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acidIUPAC
Manual XrefsDatabases
C04521KEGG COMPOUND
Registry NumbersSources
CAS:95574-95-1ChemIDplus