EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222861 - 11′-deoxyverticillin A

ChEBI IDCHEBI:222861
ChEBI Name11′-deoxyverticillin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28N6O5S4
Net Charge0
Average Mass680.859
Monoisotopic Mass680.10040
SMILESCN1C(=O)[C@@]23CC4([C@@]56c7ccccc7N[C@@H]5N5C(=O)[C@]7(C)SS[C@]5(C(=O)N7C)[C@H]6O)c5ccccc5N[C@@H]4N2C(=O)[C@]1(C)SS3
InChIInChI=1S/C30H28N6O5S4/c1-25-21(38)35-19-27(14-9-5-7-11-16(14)31-19,13-28(35,44-42-25)23(40)33(25)3)29-15-10-6-8-12-17(15)32-20(29)36-22(39)26(2)34(4)24(41)30(36,18(29)37)45-43-26/h5-12,18-20,31-32,37H,13H2,1-4H3/t18-,19+,20+,25-,26-,27?,28-,29+,30-/m0/s1
InChIKeyIMORFARNICQOLW-VIYUGLCZSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1080/10575639908048788)
ChEBI Ontology
Outgoing Relation(s)
11′-deoxyverticillin A (CHEBI:222861) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3S,11R,14S)-3-[(1S,3R,11R,14S)-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-2-hydroxy-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Manual XrefsDatabases
29212876ChemSpider