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CHEBI:64882 - (S)-malyl N-acetyl-α-D-glucosaminide

ChEBI IDCHEBI:64882
ChEBI Name(S)-malyl N-acetyl-α-D-glucosaminide
Stars
ASCII Name(S)-malyl N-acetyl-alpha-D-glucosaminide
DefinitionAn N-acetyl-α-D-glucosaminide having (S)-malyl as the anomeric substituent.
Last Modified20 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC12H19NO10
Net Charge0
Average Mass337.281
Monoisotopic Mass337.10090
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19NO10/c1-4(15)13-8-10(19)9(18)6(3-14)23-12(8)22-5(11(20)21)2-7(16)17/h5-6,8-10,12,14,18-19H,2-3H2,1H3,(H,13,15)(H,16,17)(H,20,21)/t5-,6+,8+,9+,10+,12-/m0/s1
InChIKeyCOBMRTSHZAUOCY-BVKYVCSXSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882) has functional parent (S)-malic acid (CHEBI:30797)
(S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882) is a N-acetyl-α-D-glucosaminide (CHEBI:27425)
(S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882) is conjugate acid of (S)-malyl N-acetyl-α-D-glucosaminide(2−) (CHEBI:64870)
Incoming Relation(s)
(S)-malyl N-acetyl-α-D-glucosaminide(2−) (CHEBI:64870) is conjugate base of (S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882)
IUPAC Name 
(2S)-2-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]butanedioic acid
Synonyms  Source
α-D-GlcNAc-L-MalChEBI
GlcNAc-MalMetaCyc
malyl-N-acetyl-D-glucosamineMetaCyc
(2S)-2-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]succinic acidIUPAC
Manual XrefsDatabases
CPD8J2-1MetaCyc