CHEBI:213173 - Tanzawaic acid U

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ChEBI Name Tanzawaic acid U
ChEBI ID CHEBI:213173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H28O3
Net Charge 0
Average Mass 304.430
Monoisotopic Mass 304.20384
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
SMILES O=C(O)C=CC=C[C@H]1C(=C[C@@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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