Ngercheumicin G (CHEBI:223130)

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CHEBI:223130 - Ngercheumicin G

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ChEBI ID	CHEBI:223130
ChEBI Name	Ngercheumicin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C43H78N6O11
Net Charge	0
Average Mass	855.128
Monoisotopic Mass	854.57286
SMILES	CCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O[C@H]1C
InChI	InChI=1S/C43H78N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h25-34,36-37,50-52H,10-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)/t28-,29-,30?,31?,32?,33?,34+,36-,37-/m0/s1
InChIKey	YZJJGQISMQALNG-RVQDSAONSA-N

Species of Metabolite	Component	Source	Comments
Photobacteriumspecies (ncbitaxon:660)	-	PubMed (24351904)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ngercheumicin G (CHEBI:223130) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
3-hydroxy-N-[1-[[(9S,12R,15S,16S)-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]tetradecanamide

Manual Xrefs	Databases
78445544	ChemSpider