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CHEBI:219965 - Stephensiolide H

ChEBI IDCHEBI:219965
ChEBI NameStephensiolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H59N5O9
Net Charge0
Average Mass681.872
Monoisotopic Mass681.43128
SMILESCCCCCCC/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/C34H59N5O9/c1-7-9-10-11-12-13-14-15-16-17-18-26(42)37-29-23(6)48-34(47)28(22(5)8-2)39-32(45)27(21(3)4)38-31(44)25(20-41)35-30(43)24(19-40)36-33(29)46/h14-15,21-25,27-29,40-41H,7-13,16-20H2,1-6H3,(H,35,43)(H,36,46)(H,37,42)(H,38,44)(H,39,45)/b15-14-/t22-,23+,24+,25-,27+,28?,29-/m0/s1
InChIKeyMLBDFWCKOQMKMV-KIKNOWLXSA-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 H (CHEBI:219965) 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]tridec-5-enamide
Manual XrefsDatabases
78440651ChemSpider