Destruxin A5 (CHEBI:203866)

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CHEBI:203866 - Destruxin A5

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ChEBI ID	CHEBI:203866
ChEBI Name	Destruxin A5
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H51N5O7
Net Charge	0
Average Mass	605.777
Monoisotopic Mass	605.37885
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]2C(C)CCN2C1=O
InChI	InChI=1S/C31H51N5O7/c1-10-13-22-29(40)36-17-15-20(6)25(36)28(39)33-24(18(4)11-2)30(41)35(9)26(19(5)12-3)31(42)34(8)21(7)27(38)32-16-14-23(37)43-22/h10,18-22,24-26H,1,11-17H2,2-9H3,(H,32,38)(H,33,39)/t18?,19?,20?,21?,22-,24?,25+,26?/m1/s1
InChIKey	PGUIAWATJDLBEN-QSLKNBNISA-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 A5 (CHEBI:203866) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,19S)-13,16-di(butan-2-yl)-10,11,14,20-tetramethyl-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
78445511	ChemSpider