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CHEBI:220005 - Stephensiolide A

ChEBI IDCHEBI:220005
ChEBI NameStephensiolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H49N5O9
Net Charge0
Average Mass599.726
Monoisotopic Mass599.35303
SMILESCCCCCCCC(=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/C28H49N5O9/c1-7-8-9-10-11-12-20(36)31-23-17(6)42-28(41)22(16(4)5)33-26(39)21(15(2)3)32-25(38)19(14-35)29-24(37)18(13-34)30-27(23)40/h15-19,21-23,34-35H,7-14H2,1-6H3,(H,29,37)(H,30,40)(H,31,36)(H,32,38)(H,33,39)/t17-,18-,19+,21-,22?,23+/m1/s1
InChIKeyMSYDJMRXBLIWIS-WCTRMTBBSA-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 A (CHEBI:220005) 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]octanamide
Manual XrefsDatabases
78440658ChemSpider