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CHEBI:66343 - (22S,24R)-3α-ureido-ergosta-4,6,8(14),22-tetraene

ChEBI IDCHEBI:66343
ChEBI Name(22S,24R)-3α-ureido-ergosta-4,6,8(14),22-tetraene
Stars
ASCII Name(22S,24R)-3alpha-ureido-ergosta-4,6,8(14),22-tetraene
DefinitionA member of the class of ureas that is urea substituted by a (3β,22E)-ergosta-4,6,8(14),22-tetraen-3-yl group at position 1. Isolated from the fruit bodies of the fungus Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells.
Last Modified26 November 2014
DownloadsMolfile
FormulaC29H44N2O
Net Charge0
Average Mass436.684
Monoisotopic Mass436.34536
SMILES[H][C@]12CC[C@@]3(C)C(=C1C=CC1=C[C@H](NC(N)=O)CC[C@@]12C)CC[C@]3([H])[C@H](C)/C=C/[C@H](C)C(C)C
InChIInChI=1S/C29H44N2O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(31-27(30)32)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-10,17-20,22,24,26H,11-16H2,1-6H3,(H3,30,31,32)/b8-7+/t19-,20+,22+,24+,26-,28-,29+/m0/s1
InChIKeyQMRIXJXCSWHXLU-JEFNDHMRSA-N
Species of MetaboliteComponentSourceComments
Chlorophyllum molybdites (ncbitaxon:34430) fruit (BTO:0000486) PubMed (11515573)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(22S,24R)-3α-ureido-ergosta-4,6,8(14),22-tetraene (CHEBI:66343) has role fungal metabolite (CHEBI:76946)
(22S,24R)-3α-ureido-ergosta-4,6,8(14),22-tetraene (CHEBI:66343) is a ergostanoid (CHEBI:50403)
(22S,24R)-3α-ureido-ergosta-4,6,8(14),22-tetraene (CHEBI:66343) is a ureas (CHEBI:47857)
IUPAC Name 
1-[(3α,22E)-ergosta-4,6,8(14),22-tetraen-3-yl]urea
Registry NumbersSources
Reaxys:9022305Reaxys
Citations