EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204574 - Vertihemiptellide A

ChEBI IDCHEBI:204574
ChEBI NameVertihemiptellide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N4O6S4
Net Charge0
Average Mass620.800
Monoisotopic Mass620.08917
SMILESCN1C(=O)[C@]2(CO)NC(=O)[C@@]1(Cc1ccccc1)SS[C@@]1(CO)NC(=O)[C@@](Cc3ccccc3)(SS2)N(C)C1=O
InChIInChI=1S/C26H28N4O6S4/c1-29-21(35)23(15-31)27-19(33)25(29,13-17-9-5-3-6-10-17)39-38-24(16-32)22(36)30(2)26(40-37-23,20(34)28-24)14-18-11-7-4-8-12-18/h3-12,31-32H,13-16H2,1-2H3,(H,27,33)(H,28,34)/t23-,24-,25-,26-/m1/s1
InChIKeyKXIZPSCHKWRWDA-VEYUFSJPSA-N
Species of MetaboliteComponentSourceComments
[Torrubiella hemipterigena (ncbitaxon:1531966) - PubMed (15901183)
ChEBI Ontology
Outgoing Relation(s)
Vertihemiptellide A (CHEBI:204574) has functional parent α-amino acid (CHEBI:33704)
Vertihemiptellide A (CHEBI:204574) is a organonitrogen compound (CHEBI:35352)
Vertihemiptellide A (CHEBI:204574) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4R,7R,10R)-4,10-dibenzyl-1,7-bis(hydroxymethyl)-5,11-dimethyl-2,3,8,9-tetrathia-5,11,13,15-tetrazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone
Manual XrefsDatabases
4440537ChemSpider