Tanzawaic acid M (CHEBI:201001)

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CHEBI:201001 - Tanzawaic acid M

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ChEBI ID	CHEBI:201001
ChEBI Name	Tanzawaic acid M
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O3
Net Charge	0
Average Mass	290.403
Monoisotopic Mass	290.18819
SMILES	C[C@@H]1C[C@H](CO)C[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)O)[C@@H]12
InChI	InChI=1S/C18H26O3/c1-12-7-8-15-10-14(11-19)9-13(2)18(15)16(12)5-3-4-6-17(20)21/h3-8,12-16,18-19H,9-11H2,1-2H3,(H,20,21)/b5-3+,6-4+/t12-,13+,14-,15-,16-,18-/m0/s1
InChIKey	RMLBKOQRHHEZRT-OAPNMCNBSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (26055397)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid M (CHEBI:201001) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
35517049	ChemSpider