Search MNXref
 Feedback

dITP

PropertiesImage
MNX_IDMNXM728062 Image of MNXM728062
referencechebi:61382
formulaC10H11N4O13P3
global charge-4
mol weight488.135
InChIKeyUFJPAQSLHAGEBL-RRKCRQDMSA-J
InChIInChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1
SMILESO=C1NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
MNX internals
InChI (mnx)InChI=1/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 Image of MNXM728062
SMILES (mnx)[CH2:1]1[C@H:5]([OH:15])[C@@H:6]([CH2:2][O:24][P:29]([OH:20])(=[O:21])[O:27][P:30]([OH:22])(=[O:23])[O:26][P:28]([OH:17])([OH:18])=[O:19])[O:25][C@H:7]1[N:14]1[CH:4]=[N:13][C:8]2=[C:9]1[N:11]=[CH:3][N:12]=[C:10]2[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2509835
reactomeM:R-ALL-2509835
CHEBI:61382
chebi:61382
UFJPAQSLHAGEBL-RRKCRQDMSA-J 		dITP
2'-deoxyinosine-5'-triphosphate
2'-deoxyinosine-5'-triphosphate tetraanion
2'-deoxyinosine-5'-triphosphate(4-)
dITP tetraanion
dITP(4-)
hmdb:HMDB0003537
UFJPAQSLHAGEBL-RRKCRQDMSA-N 		2'-Deoxyinosine triphosphate
2'-Deoxy-inosine 5'-(tetrahydrogen triphosphate)
2'-Deoxyinosine 5'-triphosphate
2'-Deoxyinosine 5'-triphosphoric acid
2'-Deoxyinosine triphosphate, trisodium salt
2'-Deoxyinosine triphosphoric acid
2'-Deoxyinosine-5'-triphosphate
2'-Deoxyinosine-5'-triphosphoric acid
2'-Ditp
DITP
Deoxyinosine 5'-triphosphate
Deoxyinosine 5'-triphosphoric acid
Deoxyinosine triphosphate
[hydroxy({hydroxy[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

bigg.metabolite:ditp
biggM:ditp
UFJPAQSLHAGEBL-RRKCRQDMSA-J 		DITP(4-)

vmhM:ditp
vmhmetabolite:ditp
UFJPAQSLHAGEBL-RRKCRQDMSA-J 		dITP(4-)
{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

sabiork.compound:1713
sabiorkM:1713
kegg.compound:C01345
keggC:C01345
UFJPAQSLHAGEBL-RRKCRQDMSA-J
UFJPAQSLHAGEBL-RRKCRQDMSA-N 		dITP
2'-Deoxyinosine 5'-triphosphate
2'-Deoxyinosine-5'-triphosphate

CHEBI:28807
chebi:28807
UFJPAQSLHAGEBL-RRKCRQDMSA-N 		dITP
2'-Deoxyinosine 5'-triphosphate
2'-Deoxyinosine-5'-triphosphate
2'-deoxyinosine 5'-(tetrahydrogen triphosphate)
deoxyinosine 5'-triphosphate

seed.compound:cpd00977
seedM:cpd00977
UFJPAQSLHAGEBL-RRKCRQDMSA-K 		dITP
2'-Deoxyinosine 5'-triphosphate
2'-Deoxyinosine-5'-triphosphate
deoxyinosine triphosphate
ditp

metacyc.compound:DITP
metacycM:DITP
UFJPAQSLHAGEBL-RRKCRQDMSA-J 		dITP
deoxyinosine triphosphate

hmdb:HMDB03537
chebi:10499
chebi:19251
biggM:M_ditp
keggC:M_C01345
seedM:M_cpd00977
vmhM:M_ditp 		secondary/obsolete/fantasy identifier