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CHEBI:219994 - Stephensiolide C

ChEBI IDCHEBI:219994
ChEBI NameStephensiolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H53N5O9
Net Charge0
Average Mass627.780
Monoisotopic Mass627.38433
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(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C30H53N5O9/c1-7-8-9-10-11-12-13-14-22(38)33-25-19(6)44-30(43)24(18(4)5)35-28(41)23(17(2)3)34-27(40)21(16-37)31-26(39)20(15-36)32-29(25)42/h17-21,23-25,36-37H,7-16H2,1-6H3,(H,31,39)(H,32,42)(H,33,38)(H,34,40)(H,35,41)/t19-,20-,21+,23-,24?,25+/m1/s1
InChIKeyUVDUKGTVJCUFRG-WZURJOGTSA-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 C (CHEBI:219994) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,6-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]decanamide
Manual XrefsDatabases
78440656ChemSpider