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CHEBI:165379 - 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid

ChEBI IDCHEBI:165379
ChEBI Name3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O5
Net Charge0
Average Mass202.206
Monoisotopic Mass202.08412
SMILESC/C=C(\CO)C(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14O5/c1-2-6(5-10)7(3-8(11)12)4-9(13)14/h2,7,10H,3-5H2,1H3,(H,11,12)(H,13,14)/b6-2+
InChIKeyFUMUSIMACHNZQF-QHHAFSJGSA-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-(1-Hydroxymethyl-1-propenyl)pentanedioic acid (CHEBI:165379) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
3-[(Z)-1-hydroxybut-2-en-2-yl]pentanedioic acid
Manual XrefsDatabases
HMDB0033092HMDB
25936984ChemSpider