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CHEBI:219988 - Stephensiolide D

ChEBI IDCHEBI:219988
ChEBI NameStephensiolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H55N5O9
Net Charge0
Average Mass641.807
Monoisotopic Mass641.39998
SMILESCCCCCCCCCC(=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/C31H55N5O9/c1-7-9-10-11-12-13-14-15-23(39)34-26-20(6)45-31(44)25(19(5)8-2)36-29(42)24(18(3)4)35-28(41)22(17-38)32-27(40)21(16-37)33-30(26)43/h18-22,24-26,37-38H,7-17H2,1-6H3,(H,32,40)(H,33,43)(H,34,39)(H,35,41)(H,36,42)/t19-,20+,21+,22-,24+,25?,26-/m0/s1
InChIKeyZYMPQDJNXLRYDT-VUFXYZLVSA-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 D (CHEBI:219988) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
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]decanamide
Manual XrefsDatabases
78440655ChemSpider