Nodupetide (CHEBI:217424)

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CHEBI:217424 - Nodupetide

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ChEBI ID	CHEBI:217424
ChEBI Name	Nodupetide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H49N5O7
Net Charge	0
Average Mass	567.728
Monoisotopic Mass	567.36320
SMILES	CC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O1
InChI	InChI=1S/C28H49N5O7/c1-10-17(8)20-12-21(34)29-13-22(35)32-23(15(4)5)27(38)31-19(11-14(2)3)26(37)30-18(9)25(36)33-24(16(6)7)28(39)40-20/h14-20,23-24H,10-13H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t17-,18-,19+,20-,23-,24-/m0/s1
InChIKey	HWMVMWVGJHANPN-VPGZLLHJSA-N

Species of Metabolite	Component	Source	Comments
Nodulisporiumspecies (ncbitaxon:1897413)	-	DOI (10.1016/j.tetlet.2017.01.009)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Nodupetide (CHEBI:217424) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S,19S)-19-[(2S)-butan-2-yl]-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78439901	ChemSpider