Tanzawaic acid U (CHEBI:213173)

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CHEBI:213173 - Tanzawaic acid U

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ChEBI ID	CHEBI:213173
ChEBI Name	Tanzawaic acid U
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H28O3
Net Charge	0
Average Mass	304.430
Monoisotopic Mass	304.20384
SMILES	CO[C@@H]1C=C(C)[C@H](C=CC=CC(=O)O)[C@@H]2[C@@H]1C[C@@H](C)C[C@H]2C
InChI	InChI=1S/C19H28O3/c1-12-9-14(3)19-15(7-5-6-8-18(20)21)13(2)11-17(22-4)16(19)10-12/h5-8,11-12,14-17,19H,9-10H2,1-4H3,(H,20,21)/t12-,14+,15-,16+,17+,19+/m0/s1
InChIKey	IWZVNDYNPKIBJI-ULWCDANDSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (29329204)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid U (CHEBI:213173) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
5-[(1R,4S,4aS,6S,8R,8aR)-4-methoxy-2,6,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid