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CHEBI:64870 - (S)-malyl N-acetyl-α-D-glucosaminide(2−)

ChEBI IDCHEBI:64870
ChEBI Name(S)-malyl N-acetyl-α-D-glucosaminide(2−)
Stars
ASCII Name(S)-malyl N-acetyl-alpha-D-glucosaminide(2-)
DefinitionA carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups of (S)-malyl N-acetyl-α-D-glucosaminide; major species at pH 7.3.
Last Modified22 June 2012
SubmitterEugeni Belda
DownloadsMolfile
FormulaC12H17NO10
Net Charge-2
Average Mass335.265
Monoisotopic Mass335.08634
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)/p-2/t5-,6+,8+,9+,10+,12-/m0/s1
InChIKeyCOBMRTSHZAUOCY-BVKYVCSXSA-L
ChEBI Ontology
Outgoing Relation(s)
(S)-malyl N-acetyl-α-D-glucosaminide(2−) (CHEBI:64870) is a carbohydrate acid derivative anion (CHEBI:63551)
(S)-malyl N-acetyl-α-D-glucosaminide(2−) (CHEBI:64870) is conjugate base of (S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882)
Incoming Relation(s)
(S)-malyl N-acetyl-α-D-glucosaminide (CHEBI:64882) is conjugate acid of (S)-malyl N-acetyl-α-D-glucosaminide(2−) (CHEBI:64870)
IUPAC Name 
(2S)-2-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]butanedioate
Synonyms  Source
GlcNAc-Mal(2−)SUBMITTER
malyl N-acetyl-α-D-glucosaminide(2−)ChEBI
malyl-N-acetyl-D-glucosamineMetaCyc
UniProt Name  Source
(S)-malyl N-acetyl-α-D-glucosaminideUniProt
Manual XrefsDatabases
CPD8J2-1MetaCyc