22-O-methylmycotrieninII (CHEBI:224004)

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CHEBI:224004 - 22-O-methylmycotrieninII

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ChEBI ID	CHEBI:224004
ChEBI Name	22-O-methylmycotrieninII
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H52N2O8
Net Charge	0
Average Mass	652.829
Monoisotopic Mass	652.37237
SMILES	COc1cc2c(O)c(c1)NC(=O)CC(OC)C=C/C=C\C=C/CC(OC(=O)C(C)NC(=O)C1CCCCC1)C(C)C(O)/C(C)=C\CC2
InChI	InChI=1S/C37H52N2O8/c1-24-15-14-18-28-21-30(46-5)22-31(35(28)42)39-33(40)23-29(45-4)19-12-7-6-8-13-20-32(25(2)34(24)41)47-37(44)26(3)38-36(43)27-16-10-9-11-17-27/h6-8,12-13,15,19,21-22,25-27,29,32,34,41-42H,9-11,14,16-18,20,23H2,1-5H3,(H,38,43)(H,39,40)/b7-6-,13-8-,19-12?,24-15-
InChIKey	PEANSLAKPSVOFU-YDJRDYOUSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (4044410)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	22-O-methylmycotrieninII (CHEBI:224004) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[(8Z,10Z,16Z)-15,24-dihydroxy-5,22-dimethoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate