Tanzawaic acid R (CHEBI:226884)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226884 - Tanzawaic acid R

Take structure to advanced search

ChEBI ID	CHEBI:226884
ChEBI Name	Tanzawaic acid R
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O4
Net Charge	0
Average Mass	306.402
Monoisotopic Mass	306.18311
SMILES	CC1=C[C@@H](O)C2C[C@@H](CO)C[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C18H26O4/c1-11-8-16(20)15-9-13(10-19)7-12(2)18(15)14(11)5-3-4-6-17(21)22/h3-6,8,12-16,18-20H,7,9-10H2,1-2H3,(H,21,22)/b5-3+,6-4+/t12-,13+,14+,15?,16-,18-/m1/s1
InChIKey	KUVSXNIEVWRYCQ-AZZOUUJJSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (29717198)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid R (CHEBI:226884) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-[(1R,4S,6S,8R,8aR)-4-hydroxy-6-(hydroxymethyl)-2,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid

Manual Xrefs	Databases
78438852	ChemSpider