EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197999 - Serratiomycin

ChEBI IDCHEBI:197999
ChEBI NameSerratiomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H61N5O9
Net Charge0
Average Mass731.932
Monoisotopic Mass731.44693
SMILESCCCCCCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)O1
InChIInChI=1S/C38H61N5O9/c1-7-9-10-11-15-18-27-21-31(46)39-28(19-23(3)4)34(47)41-30(22-44)36(49)43-33(25(6)45)37(50)40-29(20-26-16-13-12-14-17-26)35(48)42-32(24(5)8-2)38(51)52-27/h12-14,16-17,23-25,27-30,32-33,44-45H,7-11,15,18-22H2,1-6H3,(H,39,46)(H,40,50)(H,41,47)(H,42,48)(H,43,49)/t24?,25-,27+,28+,29-,30+,32-,33+/m0/s1
InChIKeyJJJUZZODDZXKCZ-YRMLTHTPSA-N
Species of MetaboliteComponentSourceComments
Eubacteriumspecies (ncbitaxon:142586) - DOI (10.1016/s0040-4020(98)00187-2)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Serratiomycin (CHEBI:197999) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9R,12R,15R,19R)-6-benzyl-3-butan-2-yl-19-heptyl-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78436303ChemSpider