EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221362 - Cytoblastin

ChEBI IDCHEBI:221362
ChEBI NameCytoblastin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O4
Net Charge0
Average Mass490.604
Monoisotopic Mass490.25801
SMILESCC(C)[C@H]1C(=O)N[C@H](CO)Cc2cnc3c([C@H](c4cnc5ccccc45)[C@H](O)CO)ccc(c23)N1C
InChIInChI=1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)/t17-,23+,25+,27-/m0/s1
InChIKeyNXVPLRFWXAISBZ-QLPZLAKISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1938612)
ChEBI Ontology
Outgoing Relation(s)
Cytoblastin (CHEBI:221362) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(10S,13S)-5-[(1S,2S)-2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Manual XrefsDatabases
9213471ChemSpider