CHEBI:36431 - angelic acid

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ChEBI Name angelic acid
ChEBI ID CHEBI:36431
Definition The (Z)-isomer of 2-methylbut-2-enoic acid. It is found in plant species of the family Apiaceae.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:181829
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Formula C5H8O2
Net Charge 0
Average Mass 100.11582
Monoisotopic Mass 100.052
InChI InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
InChIKey UIERETOOQGIECD-ARJAWSKDSA-N
SMILES [H]\C(C)=C(/C)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 )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 2-methylbut-2-enoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing angelic acid (CHEBI:36431) has functional parent isocrotonic acid (CHEBI:36253)
angelic acid (CHEBI:36431) has role plant metabolite (CHEBI:76924)
angelic acid (CHEBI:36431) is a 2-methylbut-2-enoic acid (CHEBI:36432)
Incoming ananolignan M (CHEBI:67450) has functional parent angelic acid (CHEBI:36431)
ananolignan N (CHEBI:67451) has functional parent angelic acid (CHEBI:36431)
columbianadin (CHEBI:132624) has functional parent angelic acid (CHEBI:36431)
gordonoside I (CHEBI:67497) has functional parent angelic acid (CHEBI:36431)
gordonoside J (CHEBI:67498) has functional parent angelic acid (CHEBI:36431)
heliosupine (CHEBI:5641) has functional parent angelic acid (CHEBI:36431)
ingenol mebutate (CHEBI:66913) has functional parent angelic acid (CHEBI:36431)
interiotherin B (CHEBI:66083) has functional parent angelic acid (CHEBI:36431)
interiotherin C (CHEBI:67455) has functional parent angelic acid (CHEBI:36431)
luteolin 7-O-β-D-glucoside-4'-(Z-2-methyl-2-butenoate) (CHEBI:85149) has functional parent angelic acid (CHEBI:36431)
petasin (CHEBI:8030) has functional parent angelic acid (CHEBI:36431)
IUPAC Name
(2Z)-2-methylbut-2-enoic acid
Synonyms Sources
(Z)-2-methylcrotonic acid NIST Chemistry WebBook
2-methyl-2Z-butenoic acid ChEBI
2-methylisocrotonic acid ChemIDplus
acide angélique ChEBI
ácido angélico ChEBI
α-methylisocrotonic acid ChEBI
Angelic acid ChemIDplus
Angelicasäure ChEBI
Angelikasäure ChEBI
cis-2,3-dimethylacrylic acid ChEBI
cis-2-dimethylcrotonic acid ChEBI
cis-2-methyl-2-butenoic acid NIST Chemistry WebBook
cis-2-methyl-2-butenoic acid ChEBI
Z-2-methyl-2-butenoic acid ChEBI
Z-2-methylcrotonic acid ChEBI
Database Links Databases
Angelic_acid Wikipedia
HMDB0029608 HMDB
LMFA01020029 LIPID MAPS
US4613680 Patent
View more database links
Registry Numbers Types Sources
1420216 Gmelin Registry Number Gmelin
1720302 Beilstein Registry Number Beilstein
1720302 Reaxys Registry Number Reaxys
565-63-9 CAS Registry Number ChemIDplus
565-63-9 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
720485 PubMed citation Europe PMC
Last Modified
24 November 2016
General Comment
2011-01-27 Found in many plants, including garden angelica (Angelica archangelica) and certain carabid beetles.