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

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8-Oxo-dGTP

	Properties	Image
MNX_ID	MNXM1363617
reference	seedM:cpd21206
formula	C₁₀H₁₂N₅O₁₄P₃
global charge	-4
mol weight	519.149
InChIKey	FCFXDIAPAZDDGH-VPENINKCSA-J
InChI	InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H8,11,12,13,14,17,18,19,20,21,22,23,24,25)/p-4/t3-,4+,5+/m0/s1
SMILES	NC1=NC(=O)C2=C(N1)N([C@H]1C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)O1)C(=O)[N-]2

MNX internals

InChI (mnx)	InChI=1/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H8,11,12,13,14,17,18,19,20,21,22,23,24,25)/t3-,4+,5+/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:3]([OH:16])[C@@H:4]([CH2:2][O:26][P:31]([OH:22])(=[O:23])[O:29][P:32](=[O:24])([OH:25])[O:28][P:30](=[O:19])([OH:20])[OH:21])[O:27][C@H:5]1[N:15]1[C:7]2=[C:6]([C:8](=[O:17])[N-:14][C:9](=[NH2+:11])[NH:13]2)[N:12]=[C:10]1[OH:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd21206 seedM:cpd21206 FCFXDIAPAZDDGH-VPENINKCSA-J	8-Oxo-dGTP 8-Oxo-7,8-dihydro-2'-deoxyguanosine 5'-triphosphate 8-Oxodeoxyguanosine triphosphate 8-hydroxydeoxyguanosine 5'-triphosphate
seed.compound:cpd26323 seedM:cpd26323 FCFXDIAPAZDDGH-VPENINKCSA-J	8-oxo-7,8-dihydro-2'-dGTP 8-oxo-7,8-dihydro-2'-deoxyguanosine 5'-triphosphate 8-oxo-dGTP
seedM:M_cpd21206 seedM:M_cpd26323	secondary/obsolete/fantasy identifier