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CHEBI:219999 - Stephensiolide B

ChEBI IDCHEBI:219999
ChEBI NameStephensiolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H51N5O9
Net Charge0
Average Mass613.753
Monoisotopic Mass613.36868
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@@H](C)CC)C(=O)O[C@@H]1C
InChIInChI=1S/C29H51N5O9/c1-7-9-10-11-12-13-21(37)32-24-18(6)43-29(42)23(17(5)8-2)34-27(40)22(16(3)4)33-26(39)20(15-36)30-25(38)19(14-35)31-28(24)41/h16-20,22-24,35-36H,7-15H2,1-6H3,(H,30,38)(H,31,41)(H,32,37)(H,33,39)(H,34,40)/t17-,18+,19+,20-,22+,23?,24-/m0/s1
InChIKeyJZGSMCBRGCMNJV-VUPFHHMNSA-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 B (CHEBI:219999) 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]octanamide
Manual XrefsDatabases
78440657ChemSpider