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Torcitabine

PropertiesImage
MNX_IDMNXM32436 Image of MNXM32436
referencekeggC:C21554
formulaC9H13N3O4
global charge0
mol weight227.22
InChIKeyCKTSBUTUHBMZGZ-CHKWXVPMSA-N
InChIInChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
SMILESNC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1 Image of MNXM32436
SMILES (mnx)[CH:1]1=[CH:2][N:12]([C@@H:8]2[CH2:3][C@@H:5]([OH:14])[C@H:6]([CH2:4][OH:13])[O:16]2)[C:9]([OH:15])=[N:11][C:7]1=[NH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C21554
keggC:C21554
CKTSBUTUHBMZGZ-CHKWXVPMSA-N 		Torcitabine
2'-Deoxy-beta-L-cytidine
L-dC
beta-L-2'-Deoxycytidine

CHEBI:43597
chebi:43597 		1-(2-deoxy-beta-L-ribofuranosyl)cytosine
hmdb:HMDB0250725
CKTSBUTUHBMZGZ-UHFFFAOYSA-N 		Cytosine deoxyribonucleoside
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Cytosine deoxyriboside
Deoxycytidine
Deoxyribonucleoside, cytosine
Deoxyriboside, cytosine
deoxycytidine

kegg.drug:D06196
keggD:D06196
CKTSBUTUHBMZGZ-CHKWXVPMSA-N 		Torcitabine (USAN/INN)

keggC:M_C21554
keggD:M_D06196 		secondary/obsolete/fantasy identifier