1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586)

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ChEBI Name	1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine

ChEBI ID	CHEBI:45586

ChEBI ASCII Name	1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine

Definition	A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 1-pro-S, 3-pro-S, and 4-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H16N2O4

Net Charge

Average Mass

252.26640

Monoisotopic Mass

252.11101

InChI

InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1

InChIKey

XRMLXZVSFIBRRJ-PEFMBERDSA-N

SMILES

[H][C@@]12C[C@@]1(C[C@H](O)[C@H]2CO)n1cc(C)c(=O)[nH]c1=O

ChEBI Ontology
Outgoing	1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) has functional parent thymine (CHEBI:17821) 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) is a C-glycosyl pyrimidine (CHEBI:36991) 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) is a carbobicyclic compound (CHEBI:36785) 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) is a primary alcohol (CHEBI:15734) 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) is a pyrimidone (CHEBI:38337) 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) is a secondary alcohol (CHEBI:35681)

IUPAC Name

1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hex-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

Synonyms	Sources
(1S,3S,4R,5S)-3-hydroxy-4-hydroxymethyl-1-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)bicyclo[3.1.0]hexane	ChEBI
south-methanocarbathymidine	ChEBI

Registry Number	Type	Source
6930384	Reaxys Registry Number	Reaxys

Citation	Type	Source
15163659	PubMed citation	Europe PMC

Last Modified

01 August 2011