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CHEBI:227347 - Kailuin G

ChEBI IDCHEBI:227347
ChEBI NameKailuin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H69N5O9
Net Charge0
Average Mass739.996
Monoisotopic Mass739.50953
SMILESCCCCCCCCCC[C@@H]1CC(=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
InChIInChI=1S/C38H69N5O9/c1-9-11-12-13-14-15-16-17-18-27-21-31(46)39-28(19-23(3)4)34(47)41-30(22-44)36(49)43-33(26(8)45)37(50)40-29(20-24(5)6)35(48)42-32(25(7)10-2)38(51)52-27/h23-30,32-33,44-45H,9-22H2,1-8H3,(H,39,46)(H,40,50)(H,41,47)(H,42,48)(H,43,49)/t25-,26+,27+,28+,29+,30-,32-,33-/m0/s1
InChIKeyMSDDJHUKLRPIMG-HQOXMFOCSA-N
Species of MetaboliteComponentSourceComments
Photobacterium halotolerans (ncbitaxon:265726) - PubMed (25699470)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kailuin G (CHEBI:227347) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12S,15R,19R)-3-[(2S)-butan-2-yl]-19-decyl-9-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
35516862ChemSpider