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6-thio-IMP

PropertiesImage
MNX_IDMNXM3196 Image of MNXM3196
referencechebi:145875
formulaC10H11N4O7PS
global charge-2
mol weight362.26
InChIKeyZKRFOXLVOKTUTA-KQYNXXCUSA-L
InChIInChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/p-2/t4-,6-,7-,10-/m1/s1
SMILESO=P([O-])([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CNC3=S)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1 Image of MNXM3196
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:6]([OH:15])[C@@H:7]([OH:16])[C@H:10]([N:14]2[CH:3]=[N:13][C:5]3=[C:8]2[N:11]=[CH:2][N:12]=[C:9]3[SH:23])[O:21]1)[O:20][P:22]([OH:17])([OH:18])=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145875
chebi:145875
ZKRFOXLVOKTUTA-KQYNXXCUSA-L 		6-thio-IMP
6-mercaptopurine riboside 5'-monophosphate
6-mercaptopurine riboside 5'-phosphate(2-)

seed.compound:cpd02832
seedM:cpd02832
ZKRFOXLVOKTUTA-KQYNXXCUSA-L 		6-Thioinosine 5'-monophosphate
6-Thioinosine-5'-monophosphate
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine

vmhM:6ti5mp
vmhmetabolite:6ti5mp
ZKRFOXLVOKTUTA-KQYNXXCUSA-N 		6-Thioinosine 5-monophosphate
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

bigg.metabolite:6tins5mp
biggM:6tins5mp 		6-Thioinosine-5'-monophosphate
hmdb:HMDB0060416
ZKRFOXLVOKTUTA-KQYNXXCUSA-N 		6-Thioinosine-5'-monophosphate
6-Mercaptopurine ribonucleoside 5'-monophosphate
6-TIMP
6-Thio-imp
6-Thioinosine 5'-monophosphate
6-Thioinosine-5'-monophosphoric acid
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine
Ion(-2) OF thioinosinic acid
Thio-IMP
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

kegg.compound:C04646
keggC:C04646
ZKRFOXLVOKTUTA-KQYNXXCUSA-N 		6-Thioinosine-5'-monophosphate
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine

reactome:R-ALL-9748992
reactomeM:R-ALL-9748992
CHEBI:180684
chebi:180684
ZKRFOXLVOKTUTA-KQYNXXCUSA-L 		6-thioinosine-5'-monophosphate(2-)

reactome:R-ALL-9750600
reactomeM:R-ALL-9750600
CHEBI:2332
chebi:2332
ZKRFOXLVOKTUTA-KQYNXXCUSA-N 		9-(5-phosphoribofuranosyl)-6-mercaptopurine
6-Thioinosine-5'-monophosphate
9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine-6-thiol
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine

hmdb:HMDB60416
biggM:M_6tins5mp
keggC:M_C04646
seedM:M_cpd02832
vmhM:M_6ti5mp 		secondary/obsolete/fantasy identifier