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GpG

PropertiesImage
MNX_IDMNXM1127824 Image of MNXM1127824
referencechebi:165826
formulaC20H25N10O12P
global charge0
mol weight628.452
InChIKeyMNXLMHSUERRXOE-MHARETSRSA-N
InChIInChI=1S/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
SMILESNC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](N4C=NC5=C4N=C(N)NC5=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 Image of MNXM1127824
SMILES (mnx)[CH2:1]([C@@H:5]1[C@@H:12]([O:42][P:43]([OH:37])(=[O:38])[O:39][CH2:2][C@@H:6]2[C@@H:9]([OH:32])[C@@H:10]([OH:33])[C@H:17]([N:29]3[CH:3]=[N:23][C:7]4=[C:13]3[NH:25][C:19](=[NH:21])[N:27]=[C:15]4[OH:35])[O:41]2)[C@@H:11]([OH:34])[C@H:18]([N:30]2[CH:4]=[N:24][C:8]3=[C:14]2[NH:26][C:20](=[NH:22])[N:28]=[C:16]3[OH:36])[O:40]1)[OH:31]
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
IdentifierDescription

CHEBI:165826
chebi:165826
MNXLMHSUERRXOE-MHARETSRSA-N 		GpG
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate