Search MNXref
 Feedback

3',3'-c-di-AMP

PropertiesImage
MNX_IDMNXM103353 Image of MNXM103353
referencechebi:71500
formulaC20H22N10O12P2
global charge-2
mol weight656.402
InChIKeyPDXMFTWFFKBFIN-XPWFQUROSA-L
InChIInChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/p-2/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@@H]4COP(=O)([O-])O[C@H]5[C@@H](O)[C@H](N6C=NC7=C(N)N=CN=C76)O[C@@H]5COP(=O)([O-])O[C@H]4[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 Image of MNXM103353
SMILES (mnx)[CH2:1]1[C@@H:7]2[C@H:13]([C@@H:11]([OH:31])[C@H:19]([N:29]3[CH:5]=[N:27][C:9]4=[C:15]([NH2:21])[N:23]=[CH:3][N:25]=[C:17]43)[O:39]2)[O:41][P:44]([OH:35])(=[O:36])[O:38][CH2:2][C@@H:8]2[C@H:14]([C@@H:12]([OH:32])[C@H:20]([N:30]3[CH:6]=[N:28][C:10]4=[C:16]([NH2:22])[N:24]=[CH:4][N:26]=[C:18]43)[O:40]2)[O:42][P:43]([OH:33])(=[O:34])[O:37]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71500
chebi:71500
PDXMFTWFFKBFIN-XPWFQUROSA-L 		3',3'-c-di-AMP
3',5'-cyclic di-AMP(2-)
cyclic di-3',5'-guanylate(2-)
cyclic di-AMP(2-)

kegg.compound:C20565
keggC:C20565
PDXMFTWFFKBFIN-XPWFQUROSA-N 		Cyclic di-3',5'-adenylate
Cyclic bis(3'->5')diadenylate
Cyclic di-AMP

seed.compound:cpd31194
seedM:cpd31194
PDXMFTWFFKBFIN-XPWFQUROSA-L 		Cyclic di-3',5'-adenylate
Cyclic di-AMP
c-di-AMP
cyclic di-3',5'-AMP
cyclic di-3',5'-adenylate
cyclic di-adenosine monophosphate
cyclic diadenosine monophosphate

metacyc.compound:CPD-15225
metacycM:CPD-15225
PDXMFTWFFKBFIN-XPWFQUROSA-L 		cyclic di-3',5'-adenylate
c-di-AMP
cyclic di-3',5'-AMP
cyclic di-adenosine monophosphate
cyclic diadenosine monophosphate

CHEBI:71578
chebi:71578
PDXMFTWFFKBFIN-XPWFQUROSA-N 		cyclic di-AMP
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
3',5'-cyclic di-AMP
bis(3',5')-cyclic diadenylic acid
bis-(3'-5')-cyclic dimeric adenosine monophosphate
cyclic di-3',5'-adenylic acid

keggC:M_C20565
seedM:M_cpd31194 		secondary/obsolete/fantasy identifier