Neosansalvamide (CHEBI:212455)

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CHEBI:212455 - Neosansalvamide

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ChEBI ID	CHEBI:212455
ChEBI Name	Neosansalvamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H50N4O6
Net Charge	0
Average Mass	586.774
Monoisotopic Mass	586.37304
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC1=O
InChI	InChI=1S/C32H50N4O6/c1-18(2)14-23-29(38)36-27(21(7)8)31(40)34-24(17-22-12-10-9-11-13-22)28(37)35-25(15-19(3)4)32(41)42-26(16-20(5)6)30(39)33-23/h9-13,18-21,23-27H,14-17H2,1-8H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t23-,24-,25-,26-,27-/m0/s1
InChIKey	RXYLAKNEARPIDK-IRGGMKSGSA-N

Species of Metabolite	Component	Source	Comments
Fusarium solani (ncbitaxon:169388)	-	PubMed (22502643)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Neosansalvamide (CHEBI:212455) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9S,12S,15S)-6-benzyl-3,12,15-tris(2-methylpropyl)-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
78437468	ChemSpider