EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201055 - Luteoalbusin B

ChEBI IDCHEBI:201055
ChEBI NameLuteoalbusin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O3S3
Net Charge0
Average Mass496.639
Monoisotopic Mass496.06975
SMILESCN1C(=O)[C@@]23C[C@]4(c5cnc6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SSS3
InChIInChI=1S/C23H20N4O3S3/c1-26-19(29)22-11-21(15-10-24-16-8-4-2-6-13(15)16)14-7-3-5-9-17(14)25-18(21)27(22)20(30)23(26,12-28)32-33-31-22/h2-10,18,24-25,28H,11-12H2,1H3/t18-,21-,22+,23+/m1/s1
InChIKeyAKCLRALPZXLOBG-QQUTXWOLSA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - PubMed (23079524)
ChEBI Ontology
Outgoing Relation(s)
Luteoalbusin B (CHEBI:201055) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,3S,11R,14S)-14-(hydroxymethyl)-3-(1H-indol-3-yl)-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Manual XrefsDatabases
29215187ChemSpider