Cordycecin A (CHEBI:222328)

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CHEBI:222328 - Cordycecin A

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ChEBI ID	CHEBI:222328
ChEBI Name	Cordycecin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H57N3O9
Net Charge	0
Average Mass	639.831
Monoisotopic Mass	639.40948
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)OC1=O
InChI	InChI=1S/C33H57N3O9/c1-16(2)13-22-31(40)43-26(20(9)10)29(38)35-24(15-18(5)6)33(42)45-27(21(11)12)30(39)36-23(14-17(3)4)32(41)44-25(19(7)8)28(37)34-22/h16-27H,13-15H2,1-12H3,(H,34,37)(H,35,38)(H,36,39)/t22-,23-,24-,25+,26+,27+/m0/s1
InChIKey	WBSKRKWHUWMBFP-VYLWARHZSA-N

Species of Metabolite	Component	Source	Comments
Cordyceps cicadae (ncbitaxon:218633)	-	PubMed (24862062)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Cordycecin A (CHEBI:222328) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78442342	ChemSpider