2-Dehydro-3-deoxylaetiporic acid A (CHEBI:215440)

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CHEBI:215440 - 2-Dehydro-3-deoxylaetiporic acid A

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ChEBI ID	CHEBI:215440
ChEBI Name	2-Dehydro-3-deoxylaetiporic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30O3
Net Charge	0
Average Mass	402.534
Monoisotopic Mass	402.21949
SMILES	CC(=O)/C(C)=C/C=C/C=C\C=C\C=C\C=C/C=C/C=C\C=C\C=C\C/C=C/C(=O)O
InChI	InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3-,6-4+,9-7+,10-8-,13-11+,14-12+,17-15-,18-16+,21-19+,24-22+,25-23+
InChIKey	ZUWHINCAQDXMJU-CENJIFQDSA-N

Species of Metabolite	Component	Source	Comments
Laetiporus sulphureus (ncbitaxon:5630)	-	PubMed (15797608)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-Dehydro-3-deoxylaetiporic acid A (CHEBI:215440) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
(2E,5E,7E,9Z,11E,13Z,15E,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid

Manual Xrefs	Databases
9479178	ChemSpider