Kailuin F (CHEBI:210412)

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CHEBI:210412 - Kailuin F

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ChEBI ID	CHEBI:210412
ChEBI Name	Kailuin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H65N5O9
Net Charge	0
Average Mass	723.953
Monoisotopic Mass	723.47823
SMILES	CCCCCC/C=C\CC1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1
InChI	InChI=1S/C37H65N5O9/c1-9-11-12-13-14-15-16-17-26-20-30(45)38-27(18-22(3)4)33(46)40-29(21-43)35(48)42-32(25(8)44)36(49)39-28(19-23(5)6)34(47)41-31(24(7)10-2)37(50)51-26/h15-16,22-29,31-32,43-44H,9-14,17-21H2,1-8H3,(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H,42,48)/b16-15-/t24-,25+,26?,27+,28+,29-,31-,32-/m0/s1
InChIKey	GHEZHKUKWGKOHT-GUUSHFEPSA-N

Species of Metabolite	Component	Source	Comments
Vibrio (ncbitaxon:662)	-	DOI (10.1016/j.tetlet.2012.10.003)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Kailuin F (CHEBI:210412) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12S,15R)-3-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-bis(2-methylpropyl)-19-[(Z)-non-2-enyl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
29215336	ChemSpider