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CHEBI:219955 - Stephensiolide I

ChEBI IDCHEBI:219955
ChEBI NameStephensiolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59N5O9
Net Charge0
Average Mass669.861
Monoisotopic Mass669.43128
SMILESCCCCCCCCCCCC(=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/C33H59N5O9/c1-7-9-10-11-12-13-14-15-16-17-25(41)36-28-22(6)47-33(46)27(21(5)8-2)38-31(44)26(20(3)4)37-30(43)24(19-40)34-29(42)23(18-39)35-32(28)45/h20-24,26-28,39-40H,7-19H2,1-6H3,(H,34,42)(H,35,45)(H,36,41)(H,37,43)(H,38,44)/t21-,22+,23+,24-,26+,27?,28-/m0/s1
InChIKeyUODWWYDVWIDUQF-BMTJWYNSSA-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 I (CHEBI:219955) 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]dodecanamide
Manual XrefsDatabases
78440649ChemSpider