CHEBI:142525 - 3-hydroxybutane-1,2,3-tricarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxybutane-1,2,3-tricarboxylic acid
ChEBI ID CHEBI:142525
Definition A tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C7H10O7
Net Charge 0
Average Mass 206.150
Monoisotopic Mass 206.04265
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)
InChIKey HHKPKXCSHMJWCF-UHFFFAOYSA-N
SMILES C(C(C(C)(C(=O)O)O)C(=O)O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a methylisocitric acid (CHEBI:25311)
3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a tertiary alcohol (CHEBI:26878)
3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is a tricarboxylic acid (CHEBI:27093)
3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) is conjugate acid of 3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:141790)
Incoming (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:15607) is a 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525)
3-hydroxybutane-1,2,3-tricarboxylate (CHEBI:141790) is conjugate base of 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525)
IUPAC Name
3-hydroxybutane-1,2,3-tricarboxylic acid
Synonyms Sources
3-carboxy-2,3-dideoxy-4-C-methylpentaric acid IUPAC
α-methylisocitric acid ChEBI
Registry Number Type Source
1712822 Reaxys Registry Number Reaxys
Last Modified
02 December 2019