CHEBI:173787 - 3-Isopropenylpentanedioic acid

ChEBI IDCHEBI:173787
ChEBI Name3-Isopropenylpentanedioic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESC=C(C)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H12O4/c1-5(2)6(3-7(9)10)4-8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)
InChIKeyPULOWZXUQOLRBK-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-Isopropenylpentanedioic acid (CHEBI:173787) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
3-prop-1-en-2-ylpentanedioic acid
Manual XrefsDatabases
21105929ChemSpider
HMDB0032352HMDB
Registry NumbersSources
CAS:6839-75-4ChemIDplus