Himeic acid E (CHEBI:200978)

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CHEBI:200978 - Himeic acid E

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ChEBI ID	CHEBI:200978
ChEBI Name	Himeic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30N2O7
Net Charge	0
Average Mass	434.489
Monoisotopic Mass	434.20530
SMILES	C[C@@H](CC(=O)NC(=O)c1cnc(/C=C\CCCCCCCCC(=O)O)cc1=O)C(=O)O
InChI	InChI=1S/C22H30N2O7/c1-15(22(30)31)12-19(26)24-21(29)17-14-23-16(13-18(17)25)10-8-6-4-2-3-5-7-9-11-20(27)28/h8,10,13-15H,2-7,9,11-12H2,1H3,(H,23,25)(H,27,28)(H,30,31)(H,24,26,29)/b10-8-/t15-/m0/s1
InChIKey	NJUIBIWJAXMJKR-WWRUEGTHSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies (ncbitaxon:5065)	-	PubMed (23302594)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Himeic acid E (CHEBI:200978) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(Z)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxo-1H-pyridin-2-yl]undec-10-enoic acid

Manual Xrefs	Databases
29215338	ChemSpider