Destruxin A4 (CHEBI:204006)

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CHEBI:204006 - Destruxin A4

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ChEBI ID	CHEBI:204006
ChEBI Name	Destruxin A4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H49N5O7
Net Charge	0
Average Mass	591.750
Monoisotopic Mass	591.36320
SMILES	C=CC[C@H]1OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)CC)NC(=O)[C@@H]2CCCN2C1=O
InChI	InChI=1S/C30H49N5O7/c1-9-13-22-28(39)35-17-12-14-21(35)27(38)32-24(18(4)10-2)29(40)34(8)25(19(5)11-3)30(41)33(7)20(6)26(37)31-16-15-23(36)42-22/h9,18-22,24-25H,1,10-17H2,2-8H3,(H,31,37)(H,32,38)/t18?,19?,20?,21-,22+,24?,25?/m0/s1
InChIKey	HLRYHDDTULAZQQ-LSGBTAIHSA-N

Species of Metabolite	Component	Source	Comments
Aschersoniaspecies (ncbitaxon:1950112)	-	DOI (10.1021/np9601216)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Destruxin A4 (CHEBI:204006) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,19S)-13,16-di(butan-2-yl)-10,11,14-trimethyl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Manual Xrefs	Databases
78445512	ChemSpider