CHEBI:15607 - (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
ChEBI ID CHEBI:15607
ChEBI ASCII Name (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Definition The (2S,3R)-diastereomer of methylisocitric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10869, CHEBI:189, CHEBI:18550
Supplier Information
Download Molfile XML SDF
Formula C7H10O7
Net Charge 0
Average Mass 206.15010
Monoisotopic Mass 206.043
InChI InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChIKey HHKPKXCSHMJWCF-WVBDSBKLSA-N
SMILES C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) has role Escherichia coli metabolite (CHEBI:76971)
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is a methylisocitric acid (CHEBI:25311)
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is a tricarboxylic acid (CHEBI:27093)
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is conjugate acid of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:57429)
Incoming (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:57429) is conjugate base of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607)
IUPAC Name
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Synonyms Sources
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate ChEBI
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate KEGG COMPOUND
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid UniProt
Methylisocitrate KEGG COMPOUND
Methylisocitric acid KEGG COMPOUND
Database Links Databases
C04593 KEGG COMPOUND
MIC PDBeChem
View more database links
Last Modified
25 January 2016