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CHEBI:219983 - Stephensiolide E

ChEBI IDCHEBI:219983
ChEBI NameStephensiolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55N5O9
Net Charge0
Average Mass653.818
Monoisotopic Mass653.39998
SMILESCCCCCC/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(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C32H55N5O9/c1-7-8-9-10-11-12-13-14-15-16-24(40)35-27-21(6)46-32(45)26(20(4)5)37-30(43)25(19(2)3)36-29(42)23(18-39)33-28(41)22(17-38)34-31(27)44/h12-13,19-23,25-27,38-39H,7-11,14-18H2,1-6H3,(H,33,41)(H,34,44)(H,35,40)(H,36,42)(H,37,43)/b13-12-/t21-,22-,23+,25-,26?,27+/m1/s1
InChIKeyHUOLEEQTSYOYMZ-YEOJVNFGSA-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 E (CHEBI:219983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-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]dodec-5-enamide
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