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CHEBI:219960 - Stephensiolide J

ChEBI IDCHEBI:219960
ChEBI NameStephensiolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H61N5O9
Net Charge0
Average Mass695.899
Monoisotopic Mass695.44693
SMILESCCCCCCCC/C=C\CCCC(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(C)C)C(=O)NC([C@@H](C)CC)C(=O)O[C@@H]1C
InChIInChI=1S/C35H61N5O9/c1-7-9-10-11-12-13-14-15-16-17-18-19-27(43)38-30-24(6)49-35(48)29(23(5)8-2)40-33(46)28(22(3)4)39-32(45)26(21-42)36-31(44)25(20-41)37-34(30)47/h15-16,22-26,28-30,41-42H,7-14,17-21H2,1-6H3,(H,36,44)(H,37,47)(H,38,43)(H,39,45)(H,40,46)/b16-15-/t23-,24+,25+,26-,28+,29?,30-/m0/s1
InChIKeyNLYCAVUNBXMSPY-GZIOMFDYSA-N
Species of MetaboliteComponentSourceComments
Serratiaspecies (in: enterobacteria) (ncbitaxon:616) - PubMed (29700993)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stephensiolide J (CHEBI:219960) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-N-[(6R,9S,12R,15S,16R)-3-[(2S)-butan-2-yl]-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-6-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]tetradec-5-enamide
Manual XrefsDatabases
78440650ChemSpider