EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219976 - Stephensiolide K

ChEBI IDCHEBI:219976
ChEBI NameStephensiolide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H61N5O9
Net Charge0
Average Mass683.888
Monoisotopic Mass683.44693
SMILESCCCCCCCCCCCC(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](C)CC)C(=O)NC([C@@H](C)CC)C(=O)O[C@@H]1C
InChIInChI=1S/C34H61N5O9/c1-7-10-11-12-13-14-15-16-17-18-26(42)37-29-23(6)48-34(47)28(22(5)9-3)39-32(45)27(21(4)8-2)38-31(44)25(20-41)35-30(43)24(19-40)36-33(29)46/h21-25,27-29,40-41H,7-20H2,1-6H3,(H,35,43)(H,36,46)(H,37,42)(H,38,44)(H,39,45)/t21-,22+,23-,24-,25+,27-,28?,29+/m1/s1
InChIKeyILMYXIBUNFEXHP-RAGLEDJYSA-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 K (CHEBI:219976) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(6R,9S,12R,15S,16R)-6-[(2R)-butan-2-yl]-3-[(2S)-butan-2-yl]-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]dodecanamide
Manual XrefsDatabases
78440653ChemSpider