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CHEBI:46026 - 1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine

ChEBI IDCHEBI:46026
ChEBI Name1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine
Stars
ASCII Name1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine
DefinitionA carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.
Last Modified1 August 2011
DownloadsMolfile
FormulaC12H16N2O4
Net Charge0
Average Mass252.270
Monoisotopic Mass252.11101
SMILES[H][C@]12C[C@@]1(CO)[C@@H](O)C[C@@H]2n1cc(C)c(=O)nc1=O
InChIInChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1
InChIKeyNOWRLNPOENZFHP-ARHDFHRDSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) has functional parent thymine (CHEBI:17821)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) is a C-glycosyl pyrimidine (CHEBI:36991)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) is a carbobicyclic compound (CHEBI:36785)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) is a primary alcohol (CHEBI:15734)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) is a pyrimidone (CHEBI:38337)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Synonyms  Source
1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONEPDBeChem
1-[(1'S,2'S,4'S,5'R)-4'-hydroxy-5'-(hydroxymethyl)bicyclo[3.1.0]hexan-2'-yl]-5-methylpyrimidine-2,4(1H,3H)-dioneChEBI
north-methanocarbathymidineChEBI
Manual XrefsDatabases
TMCPDBeChem
Registry NumbersSources
Reaxys:6811572Reaxys
Citations