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5'-ApG-3'

PropertiesImage
MNX_IDMNXM166892 Image of MNXM166892
referencechebi:142753
formulaC20H24N10O11P
global charge-1
mol weight611.445
InChIKeyLWBLDUTUVIXFJE-INFSMZHSSA-M
InChIInChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/p-1/t6-,7-,10-,11-,12-,13-,18-,19-/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=CN=C5N)O[C@@H]3CO)[C@@H](O)[C@H]2O)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 Image of MNXM166892
SMILES (mnx)[CH2:1]([C@@H:6]1[C@@H:13]([O:41][P:42]([OH:36])(=[O:37])[O:38][CH2:2][C@@H:7]2[C@@H:10]([OH:32])[C@@H:11]([OH:33])[C@H:18]([N:30]3[CH:5]=[N:26][C:9]4=[C:16]3[NH:27][C:20](=[NH:22])[N:28]=[C:17]4[OH:35])[O:40]2)[C@@H:12]([OH:34])[C@H:19]([N:29]2[CH:4]=[N:25][C:8]3=[C:14]([NH2:21])[N:23]=[CH:3][N:24]=[C:15]32)[O:39]1)[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142753
chebi:142753
LWBLDUTUVIXFJE-INFSMZHSSA-M
5'-ApG-3'
5'-ApG
5'-ApG-3'(1-)

sabiork.compound:26783
sabiorkM:26783
LWBLDUTUVIXFJE-INFSMZHSSA-N
Adenylyl-3',5'-guanosine