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CHEBI:16216 - 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid

ChEBI IDCHEBI:16216
ChEBI Name3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid
Stars
DefinitionA dicarboxylic acid that is succinic acid substituted at position 2 by an acetamidomethylidene group and at position 3 by a hydroxymethyl group.
Secondary ChEBI IDsCHEBI:972, CHEBI:11472, CHEBI:11475, CHEBI:19412
Last Modified3 August 2014
DownloadsMolfile
FormulaC8H11NO6
Net Charge0
Average Mass217.177
Monoisotopic Mass217.05864
SMILESCC(=O)NC=C(C(=O)O)C(CO)C(=O)O
InChIInChI=1S/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)
InChIKeyBHXUWJPOOLFBAP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216) has functional parent succinic acid (CHEBI:15741)
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216) is a 3-hydroxy carboxylic acid (CHEBI:61355)
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216) is a dicarboxylic acid (CHEBI:35692)
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216) is a primary alcohol (CHEBI:15734)
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216) is conjugate acid of 3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2−) (CHEBI:19418)
Incoming Relation(s)
3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2−) (CHEBI:19418) is conjugate base of 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid (CHEBI:16216)
IUPAC Name 
2-(acetamidomethylidene)-3-(hydroxymethyl)butanedioic acid
Synonyms  Source
2-(Hydroxymethyl)-3-(acetamidomethylene)succinateKEGG COMPOUND
2-(Acetamidomethylene)-3-(hydroxymethyl)succinateKEGG COMPOUND
Manual XrefsDatabases
C04690KEGG COMPOUND
C04690KEGG COMPOUND