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A3'p5'A3'p5'A

PropertiesImage
MNX_IDMNXM81010 Image of MNXM81010
referencechebi:75803
formulaC30H37N15O16P2
global charge0
mol weight925.663
InChIKeyCUJKPTPMTCNOKC-UQTMIEBXSA-N
InChIInChI=1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](N5C=NC6=C(N)N=CN=C65)O[C@@H]4COP(=O)(O)O[C@H]4[C@@H](O)[C@H](N5C=NC6=C(N)N=CN=C65)O[C@@H]4CO)[C@@H](O)[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 Image of MNXM81010
SMILES (mnx)[CH2:1]([C@@H:10]1[C@@H:20]([O:60][P:63]([OH:53])(=[O:54])[O:56][CH2:3][C@@H:12]2[C@@H:21]([O:61][P:62]([OH:51])(=[O:52])[O:55][CH2:2][C@@H:11]3[C@@H:16]([OH:47])[C@@H:17]([OH:48])[C@H:28]([N:43]4[CH:7]=[N:40][C:13]5=[C:22]([NH2:31])[N:34]=[CH:4][N:37]=[C:25]54)[O:58]3)[C@@H:19]([OH:50])[C@H:30]([N:45]3[CH:9]=[N:42][C:15]4=[C:24]([NH2:33])[N:36]=[CH:6][N:39]=[C:27]43)[O:59]2)[C@@H:18]([OH:49])[C@H:29]([N:44]2[CH:8]=[N:41][C:14]3=[C:23]([NH2:32])[N:35]=[CH:5][N:38]=[C:26]32)[O:57]1)[OH:46]
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:75803
chebi:75803
CUJKPTPMTCNOKC-UQTMIEBXSA-N 		A3'p5'A3'p5'A
(A3'p5')2A
adenylyl-(5'->3')-adenylyl-(5'->3')-adenosine
hmdb:HMDB0256666
CUJKPTPMTCNOKC-UHFFFAOYSA-N 		A3'p5'A3'p5'A
Adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
ApApA
[5-(6-aminopurin-9-yl)-2-[({[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy([5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy)phosphinic acid
{[5-(6-amino-9H-purin-9-yl)-2-{[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
{[5-(6-amino-9H-purin-9-yl)-3-[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methoxy}({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinate

seed.compound:cpd11739
seedM:cpd11739 		Poly(A)
Polyadenylic acid
RNA (poly(A))

sabiork.compound:3050
sabiorkM:3050 		RNA (poly(A))

seedM:M_cpd11739 		secondary/obsolete/fantasy identifier