Destruxin B2 (CHEBI:202832)

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CHEBI:202832 - Destruxin B2

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ChEBI ID	CHEBI:202832
ChEBI Name	Destruxin B2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H49N5O7
Net Charge	0
Average Mass	579.739
Monoisotopic Mass	579.36320
SMILES	CC(C)C[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChI	InChI=1S/C29H49N5O7/c1-16(2)15-21-27(38)34-14-10-11-20(34)26(37)31-23(17(3)4)28(39)33(9)24(18(5)6)29(40)32(8)19(7)25(36)30-13-12-22(35)41-21/h16-21,23-24H,10-15H2,1-9H3,(H,30,36)(H,31,37)/t19-,20-,21+,23-,24-/m0/s1
InChIKey	BHOYUZRQFBRFCM-FGOAKDMDSA-N

Species of Metabolite	Component	Source	Comments
Metarhizium anisopliae (ncbitaxon:5530)	-	DOI (10.1016/0031-9422(81)85160-6)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Destruxin B2 (CHEBI:202832) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
8568858	ChemSpider