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CHEBI:142254 - auxin a

ChEBI IDCHEBI:142254
ChEBI Nameauxin a
Stars
DefinitionA carbocyclic compound that is 3,5-di-sec-butylcyclopentene which is substituted by a 4-carboxy-1,3,4-trihydroxybutyl group at position 1.
Last Modified9 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H32O5
Net Charge0
Average Mass328.449
Monoisotopic Mass328.22497
SMILESCCC(C)C1C=C(C(O)CC(O)C(O)C(=O)O)C(C(C)CC)C1
InChIInChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23)
InChIKeyRKOUCPMGBBKLNK-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)
auxin a (CHEBI:142254) is a carbocyclic compound (CHEBI:33598)
auxin a (CHEBI:142254) is a hydroxy monocarboxylic acid (CHEBI:35868)
auxin a (CHEBI:142254) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
4-deoxy-5-C-(3,5-di-sec-butylcyclopent-1-en-1-yl)pentonic acid
Synonyms  Source
5-(2,4-di-sec-butyl-cyclopent-5-enyl)-2,3,5-trihydroxy-valeric acidChEBI
5-C-(3,5-bis(1-methylpropyl)-1-cyclopenten-1-yl)-4-deoxy-pentonic acidChEBI
auxin-aChEBI
5-(3,5-di-sec-butylcyclopent-1-enyl)-2,3,5-trihydroxyvaleric acidChemIDplus
auxentriolic acidChEBI
auxen triolic acidChEBI
Manual XrefsDatabases
83749ChemSpider
HMDB0038483HMDB
FDB017851FooDB
Registry NumbersSources
Reaxys:3152986Reaxys
CAS:491-14-5ChemIDplus