Himeic acid A (CHEBI:214481)

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CHEBI:214481 - Himeic acid A

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ChEBI ID	CHEBI:214481
ChEBI Name	Himeic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H29NO8
Net Charge	0
Average Mass	435.473
Monoisotopic Mass	435.18932
SMILES	C[C@@H](CC(=O)NC(=O)c1coc(/C=C/CCCCCCCCC(=O)O)cc1=O)C(=O)O
InChI	InChI=1S/C22H29NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h8,10,13-15H,2-7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b10-8+/t15-/m0/s1
InChIKey	OKGLROPOZIVCCZ-HQPKTYMTSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies (ncbitaxon:5065)	-	PubMed (15582438)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Himeic acid A (CHEBI:214481) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undec-10-enoic acid

Manual Xrefs	Databases
9949586	ChemSpider