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

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dGpdG

	Properties	Image
MNX_ID	MNXM1127815
reference	chebi:165816
formula	C₂₀H₂₅N₁₀O₁₀P
global charge	0
mol weight	596.454
InChIKey	KGXGIPRRDQWVET-WGWHJZDNSA-N
InChI	InChI=1S/C20H25N10O10P/c21-19-25-15-13(17(33)27-19)23-5-29(15)11-1-7(32)10(39-11)4-37-41(35,36)40-8-2-12(38-9(8)3-31)30-6-24-14-16(30)26-20(22)28-18(14)34/h5-12,31-32H,1-4H2,(H,35,36)(H3,21,25,27,33)(H3,22,26,28,34)/t7-,8-,9+,10+,11+,12+/m0/s1
SMILES	NC1=NC2=C(N=CN2[C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)C[C@@H]3O)[C@@H](CO)O2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C20H25N10O10P/c21-19-25-15-13(17(33)27-19)23-5-29(15)11-1-7(32)10(39-11)4-37-41(35,36)40-8-2-12(38-9(8)3-31)30-6-24-14-16(30)26-20(22)28-18(14)34/h5-12,31-32H,1-4H2,(H,35,36)(H3,21,25,27,33)(H3,22,26,28,34)/t7-,8-,9+,10+,11+,12+/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:7]([OH:32])[C@@H:10]([CH2:4][O:37][P:41]([OH:35])(=[O:36])[O:40][C@H:8]2[CH2:2][C@H:12]([N:30]3[CH:6]=[N:24][C:14]4=[C:16]3[NH:26][C:20](=[NH:22])[N:28]=[C:18]4[OH:34])[O:38][C@@H:9]2[CH2:3][OH:31])[O:39][C@H:11]1[N:29]1[CH:5]=[N:23][C:13]2=[C:15]1[NH:25][C:19](=[NH:21])[N:27]=[C:17]2[OH:33]

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
Identifier	Description
CHEBI:165816 chebi:165816 KGXGIPRRDQWVET-WGWHJZDNSA-N	dGpdG (2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate