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CHEBI:75384 - (S)-monastrol

ChEBI IDCHEBI:75384
ChEBI Name(S)-monastrol
Stars
ASCII Name(S)-monastrol
DefinitionAn ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration.
Last Modified25 April 2019
Submitternamrata
DownloadsMolfile
FormulaC14H16N2O3S
Net Charge0
Average Mass292.360
Monoisotopic Mass292.08816
SMILESCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1
InChIInChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
InChIKeyLOBCDGHHHHGHFA-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-monastrol (CHEBI:75384) is a ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544)
(S)-monastrol (CHEBI:75384) is enantiomer of (R)-monastrol (CHEBI:75383)
Incoming Relation(s)
monastrol (CHEBI:75382) has part (S)-monastrol (CHEBI:75384)
(R)-monastrol (CHEBI:75383) is enantiomer of (S)-monastrol (CHEBI:75384)
IUPAC Name 
ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Synonym  Source
ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylateChEBI
Manual XrefsDatabases
DB04331DrugBank
Registry NumbersSources
Reaxys:8497710Reaxys
Citations