EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222854 - 11,11′-dideoxyverticillin A

ChEBI IDCHEBI:222854
ChEBI Name11,11′-dideoxyverticillin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28N6O4S4
Net Charge0
Average Mass664.860
Monoisotopic Mass664.10549
SMILESCN1C(=O)[C@@]23CC4([C@]56C[C@@]78SS[C@@](C)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@@H]4N2C(=O)[C@]1(C)SS3
InChIInChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28?,29+,30+/m1/s1
InChIKeyPVVLIIZIQXDFSP-HAUCAJOLSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1080/10575639908048788)
ChEBI Ontology
Outgoing Relation(s)
11,11′-dideoxyverticillin A (CHEBI:222854) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,3R,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]-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
2341238ChemSpider