EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198880 - T988 C

ChEBI IDCHEBI:198880
ChEBI NameT988 C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20N4O4S2
Net Charge0
Average Mass480.571
Monoisotopic Mass480.09260
SMILESCN1C(=O)[C@]23SS[C@@]1(CO)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1cnc2ccccc12)[C@@H]3O
InChIInChI=1S/C23H20N4O4S2/c1-26-20(31)23-17(29)22(14-10-24-15-8-4-2-6-12(14)15)13-7-3-5-9-16(13)25-18(22)27(23)19(30)21(26,11-28)32-33-23/h2-10,17-18,24-25,28-29H,11H2,1H3/t17-,18+,21-,22+,23-/m0/s1
InChIKeyNHOTYQNKQTXECK-PHXJMUFTSA-N
Species of MetaboliteComponentSourceComments
Tilachlidium (ncbitaxon:150389) - PubMed (15620259)
ChEBI Ontology
Outgoing Relation(s)
T988 C (CHEBI:198880) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,2S,3R,11R,14S)-2-hydroxy-14-(hydroxymethyl)-3-(1H-indol-3-yl)-18-methyl-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
10181961ChemSpider