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CpC

PropertiesImage
MNX_IDMNXM1127821 Image of MNXM1127821
referencechebi:165822
formulaC18H25N6O12P
global charge0
mol weight548.402
InChIKeyPTLMIIUMLITBQT-NCOIDOBVSA-N
InChIInChI=1S/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
SMILESNC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](N4C=CC(N)=NC4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 Image of MNXM1127821
SMILES (mnx)[CH:1]1=[CH:3][N:23]([C@H:15]2[C@H:12]([OH:27])[C@H:11]([OH:26])[C@@H:8]([CH2:6][O:33][P:37]([OH:31])(=[O:32])[O:36][C@@H:14]3[C@@H:7]([CH2:5][OH:25])[O:34][C@@H:16]([N:24]4[CH:4]=[CH:2][C:10](=[NH:20])[N:22]=[C:18]4[OH:30])[C@@H:13]3[OH:28])[O:35]2)[C:17]([OH:29])=[N:21][C:9]1=[NH:19]
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:165822
chebi:165822
PTLMIIUMLITBQT-NCOIDOBVSA-N 		CpC
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate