Desmethyldestruxin A (CHEBI:226788)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226788 - Desmethyldestruxin A

Take structure to advanced search

ChEBI ID	CHEBI:226788
ChEBI Name	Desmethyldestruxin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H45N5O7
Net Charge	0
Average Mass	563.696
Monoisotopic Mass	563.33190
SMILES	C=CC[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H]2CCCN2C1=O
InChI	InChI=1S/C28H45N5O7/c1-8-11-20-27(38)33-15-10-12-19(33)25(36)31-23(17(5)9-2)26(37)30-22(16(3)4)28(39)32(7)18(6)24(35)29-14-13-21(34)40-20/h8,16-20,22-23H,1,9-15H2,2-7H3,(H,29,35)(H,30,37)(H,31,36)/t17?,18-,19-,20+,22-,23-/m0/s1
InChIKey	BNDTXDIWZPIRNI-VYWCNRFJSA-N

Species of Metabolite	Component	Source	Comments
Metarhizium anisopliae (ncbitaxon:5530)	-	DOI (10.1021/np50094a034)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Desmethyldestruxin A (CHEBI:226788) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3R,10S,13S,16S,19S)-16-butan-2-yl-10,11-dimethyl-13-propan-2-yl-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
78440443	ChemSpider