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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-2,7-anhydro-α-neuraminic acid
ChEBI ID CHEBI:28695
ChEBI ASCII Name N-acetyl-2,7-anhydro-alpha-neuraminic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19406, CHEBI:45584, CHEBI:960
Supplier Information
Download Molfile XML SDF
Formula C11H17NO8
Net Charge 0
Average Mass 291.25462
Monoisotopic Mass 291.09542
InChI InChI=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
InChIKey NCMJSVDTRDLWJE-YRMXFSIDSA-N
SMILES [H][C@@]1(O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2)C(O)=O)[C@H](O)CO
ChEBI Ontology
Outgoing 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 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 Sources
(1R,2R,3S,5S,7R)-2-acetamido-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid IUPAC
2,7-Anhydro-alpha-N-acetylneuraminic acid KEGG COMPOUND
Manual Xref Database
C04521 KEGG COMPOUND
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Registry Number Type Source
95574-95-1 CAS Registry Number ChemIDplus
Last Modified
04 August 2014