MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dGTP

	Properties	Image
MNX_ID	MNXM344
reference	chebi:61429
formula	C₁₀H₁₂N₅O₁₃P₃
global charge	-4
mol weight	503.15
InChIKey	HAAZLUGHYHWQIW-KVQBGUIXSA-J
InChI	InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/p-4/t4-,5+,6+/m0/s1
SMILES	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:4]([OH:16])[C@@H:5]([CH2:2][O:25][P:30]([OH:21])(=[O:22])[O:28][P:31]([OH:23])(=[O:24])[O:27][P:29]([OH:18])([OH:19])=[O:20])[O:26][C@H:6]1[N:15]1[CH:3]=[N:12][C:7]2=[C:8]1[NH:13][C:10](=[NH:11])[N:14]=[C:9]2[OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	109
in models (compartimentalized)	130

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-110672 reactomeM:R-ALL-110672 reactome:R-ALL-110681 reactomeM:R-ALL-110681 reactome:R-ALL-29892 reactomeM:R-ALL-29892 CHEBI:61429 chebi:61429 HAAZLUGHYHWQIW-KVQBGUIXSA-J	dGTP 2'-deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)guanosine 2'-deoxyguanosine 5'-triphosphate 2'-deoxyguanosine 5'-triphosphate tetraanion 2'-deoxyguanosine 5'-triphosphate(4-) dGTP tetraanion dGTP(4-)
bigg.metabolite:dgtp biggM:dgtp HAAZLUGHYHWQIW-KVQBGUIXSA-J	DGTP
CHEBI:57794 chebi:57794 HAAZLUGHYHWQIW-KVQBGUIXSA-K	dGTP(3-) 2'-deoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]guanosine dGTP trianion
vmhM:dgtp vmhmetabolite:dgtp HAAZLUGHYHWQIW-KVQBGUIXSA-J	dGTP ({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
hmdb:HMDB0001440 HAAZLUGHYHWQIW-KVQBGUIXSA-N	dGTP ({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid 2'-Deoxyguanosine 5'-triphosphate 2'-Deoxyguanosine 5'-triphosphoric acid 2'-Deoxyguanosine triphosphate Deoxy-GTP Deoxyguanosine 5'-triphosphate Deoxyguanosine 5'-triphosphoric acid Deoxyguanosine triphosphate Deoxyguanosine triphosphate, 3H-labeled Deoxyguanosine triphosphoric acid
seed.compound:cpd00241 seedM:cpd00241 HAAZLUGHYHWQIW-KVQBGUIXSA-K	dGTP 2'-Deoxyguanosine 5'-triphosphate 2'-deoxyguanosine-5'-triphosphate Deoxyguanosine 5'-triphosphate Deoxyguanosine triphosphate deoxy-GTP deoxyguanosine-triphosphate dgtp
sabiork.compound:1675 sabiorkM:1675 kegg.compound:C00286 keggC:C00286 HAAZLUGHYHWQIW-KVQBGUIXSA-N	dGTP 2'-Deoxyguanosine 5'-triphosphate Deoxyguanosine 5'-triphosphate Deoxyguanosine triphosphate
CHEBI:16497 chebi:16497 HAAZLUGHYHWQIW-KVQBGUIXSA-N	dGTP 2'-deoxy-GTP 2'-deoxyguanosine 5'-(tetrahydrogen triphosphate) 2'-deoxyguanosine 5'-triphosphate 2'-deoxyguanosine triphosphate deoxy-GTP deoxyguanosine 5'-triphosphate deoxyguanosine triphosphate
metacyc.compound:DGTP metacycM:DGTP HAAZLUGHYHWQIW-KVQBGUIXSA-J	dGTP 2'-deoxyguanosine-5'-triphosphate deoxy-GTP deoxyguanosine-triphosphate
hmdb:HMDB01440 chebi:10497 chebi:14076 chebi:19247 biggM:M_dgtp keggC:M_C00286 seedM:M_cpd00241 vmhM:M_dgtp	secondary/obsolete/fantasy identifier