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

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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	A 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10869, CHEBI:43909, CHEBI:189, CHEBI:18550

Supplier Information

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Formula

C7H10O7

Net Charge

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)/t3-,7-/m1/s1

InChIKey

HHKPKXCSHMJWCF-WVBDSBKLSA-N

SMILES

C([C@@H]([C@](C)(C(=O)O)O)C(=O)O)C(=O)O

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	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.

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 3-hydroxybutane-1,2,3-tricarboxylic acid (CHEBI:142525) (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	KEGG COMPOUND
3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid	PDBeChem
Methylisocitric acid	KEGG COMPOUND

Registry Number	Type	Source
71183-66-9	CAS Registry Number	PubChem

Last Modified

09 November 2018