EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200446 - Arecoic acid D

Default Structure
ChEBI IDCHEBI:200446
ChEBI NameArecoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC1=C(C(=O)O)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2C[C@H]1O
InChIInChI=1S/C15H22O5/c1-8-9(16)7-10-14(2,11(8)12(17)18)5-4-6-15(10,3)13(19)20/h9-10,16H,4-7H2,1-3H3,(H,17,18)(H,19,20)/t9-,10-,14+,15+/m1/s1
InChIKeyCEIDCYCXCMFPMO-RPVFDAQASA-N
Species of MetaboliteComponentSourceComments
Arecophila (ncbitaxon:189360) - PubMed (23079766)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Arecoic acid D (CHEBI:200446) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(1S,4aS,7R,8aR)-7-hydroxy-1,4a,6-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1,5-dicarboxylic acid
Manual XrefsDatabases
78442281ChemSpider