3-hydroxy-3-(methoxycarbonyl)pentanedioic acid (CHEBI:167716)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-hydroxy-3-(methoxycarbonyl)pentanedioic acid

ChEBI ID	CHEBI:167716

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C7H10O7

Net Charge

Average Mass

206.150

Monoisotopic Mass

206.04265

InChI

InChI=1S/C7H10O7/c1-14-6(12)7(13,2-4(8)9)3-5(10)11/h13H,2-3H2,1H3,(H,8,9)(H,10,11)

InChIKey

HCVBQXINVUFVCE-UHFFFAOYSA-N

SMILES

OC(CC(O)=O)(CC(O)=O)C(OC)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-hydroxy-3-(methoxycarbonyl)pentanedioic acid (CHEBI:167716) is a carbonyl compound (CHEBI:36586)

IUPAC Name

3-hydroxy-3-methoxycarbonylpentanedioic acid