Alternaramide (CHEBI:208555)

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CHEBI:208555 - Alternaramide

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ChEBI ID	CHEBI:208555
ChEBI Name	Alternaramide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H40N4O6
Net Charge	0
Average Mass	588.705
Monoisotopic Mass	588.29478
SMILES	CC(C)[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
InChI	InChI=1S/C33H40N4O6/c1-21(2)28-30(39)35-25(20-23-13-7-4-8-14-23)31(40)36-17-9-15-26(36)29(38)34-24(19-22-11-5-3-6-12-22)32(41)37-18-10-16-27(37)33(42)43-28/h3-8,11-14,21,24-28H,9-10,15-20H2,1-2H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,28+/m1/s1
InChIKey	IZCWSRIIMBIBGB-MASCHLQQSA-N

Species of Metabolite	Component	Source	Comments
Alternariaspecies SF-5016 (ncbitaxon:678553)	-	PubMed (19943624)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Alternaramide (CHEBI:208555) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,6S,12R,15S,18S)-3,12-dibenzyl-15-propan-2-yl-16-oxa-1,4,10,13-tetrazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone

Manual Xrefs	Databases
24684136	ChemSpider