EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223155 - Cezomycin

ChEBI IDCHEBI:223155
ChEBI NameCezomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N2O6
Net Charge0
Average Mass494.588
Monoisotopic Mass494.24169
SMILESC[C@@H]1C[C@@H](C)[C@@]2(CC[C@@H](C)[C@H](Cc3nc4c(C(=O)O)cccc4o3)O2)O[C@H]1[C@H](C)C(=O)c1cccn1
InChIInChI=1S/C28H34N2O6/c1-15-10-11-28(17(3)13-16(2)26(36-28)18(4)25(31)20-8-6-12-29-20)35-22(15)14-23-30-24-19(27(32)33)7-5-9-21(24)34-23/h5-9,12,15-18,22,26,29H,10-11,13-14H2,1-4H3,(H,32,33)/t15-,16-,17-,18-,22+,26-,28-/m1/s1
InChIKeySFAOBXUZYBPOKX-WOIQFTIESA-N
Species of MetaboliteComponentSourceComments
Streptomyces chartreusis NRRL 3882 (ncbitaxon:1079985) - PubMed (6816779)
ChEBI Ontology
Outgoing Relation(s)
Cezomycin (CHEBI:223155) is a benzoxazole (CHEBI:46700)
IUPAC Name 
2-[[(2R,3R,5R,6R,8S,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
Manual XrefsDatabases
78443062ChemSpider