EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198627 - Yatakemycin

ChEBI IDCHEBI:198627
ChEBI NameYatakemycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H29N5O8S
Net Charge0
Average Mass679.711
Monoisotopic Mass679.17368
SMILESCOc1cc2cc(C(=O)N3CC4CC45C3=CC(=O)c3nc(C(=O)N4CCc6c4c(O)c(OC)c4nc(SC(C)=O)cc64)cc35)nc2cc1O
InChIInChI=1S/C35H29N5O8S/c1-14(41)49-27-8-18-17-4-5-39(30(17)31(44)32(48-3)28(18)38-27)33(45)22-9-19-29(37-22)24(43)11-26-35(19)12-16(35)13-40(26)34(46)21-6-15-7-25(47-2)23(42)10-20(15)36-21/h6-11,16,36-38,42,44H,4-5,12-13H2,1-3H3
InChIKeyCJTUMLYXLYEBOO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies TP-A0356 (ncbitaxon:1359208) - PubMed (12715869)
ChEBI Ontology
Outgoing Relation(s)
Yatakemycin (CHEBI:198627) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
S-[5-hydroxy-6-[10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate
Manual XrefsDatabases
8253809ChemSpider