Carneic acid K (CHEBI:224344)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224344 - Carneic acid K

Take structure to advanced search

ChEBI ID	CHEBI:224344
ChEBI Name	Carneic acid K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H28O4
Net Charge	0
Average Mass	344.451
Monoisotopic Mass	344.19876
SMILES	CC(=CCO)[C@@H]1C(C)=C[C@@H]2CC(=O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C21H28O4/c1-13(8-9-22)20-14(2)10-16-12-17(23)11-15(3)21(16)18(20)6-4-5-7-19(24)25/h4-8,10,15-16,18,20-22H,9,11-12H2,1-3H3,(H,24,25)/b6-4+,7-5+,13-8?/t15-,16+,18+,20+,21+/m0/s1
InChIKey	CBBBZXVWDFNDCS-ROUQAXKUSA-N

Species of Metabolite	Component	Source	Comments
Phomopsis (ncbitaxon:34399)	-	PubMed (32686414)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Carneic acid K (CHEBI:224344) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-[(1S,2S,4aR,8S,8aR)-2-(4-hydroxybut-2-en-2-yl)-3,8-dimethyl-6-oxo-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid