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N(6)-butyryl-cAMP

PropertiesImage
MNX_IDMNXM158228 Image of MNXM158228
referencechebi:84605
formulaC14H18N5O7P
global charge0
mol weight399.3
InChIKeyNVGDLMUKSMHEQT-FRJWGUMJSA-N
InChIInChI=1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1
SMILESCCCC(=O)NC1=C2N=CN([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1 Image of MNXM158228
SMILES (mnx)[CH3:1][CH2:2][CH2:3][C:8](=[N:18][C:12]1=[C:9]2[C:13](=[N:16][CH:5]=[N:15]1)[N:19]([C@H:14]1[C@H:10]([OH:21])[C@H:11]3[C@@H:7]([CH2:4][O:24][P:27]([OH:22])(=[O:23])[O:26]3)[O:25]1)[CH:6]=[N:17]2)[OH:20]
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:84605
chebi:84605
NVGDLMUKSMHEQT-FRJWGUMJSA-N 		N(6)-butyryl-cAMP
6-MB-cAMP
Cyclic N6-monobutyryl-AMP
Cyclic N6-monobutyryladenosine-3',5'-monophosphate
Monobutyryl adnosine cyclic 3',5'-monophosphate
Monobutyryl cyclic AMP
N(6)-Butyryl adenosine-3',5'-cyclic monophosphate
N(6)-Butyryl cyclic AMP
N(6)-Monobutyryl adenosine-3',5'-cyclic monophosphate
N(6)-Monobutyryl cyclic AMP
N(6)-butanoyl-cAMP
N-{9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-6-yl}butanamide
N6-Butyryl-3',5'-cyclic AMP
N6-Butyryladenosine 3',5'-cyclic phosphate
N6-Monobutyryl-cAMP
N6-Monobutyryladenosine-3',5'-cyclic monophosphate
N6-Monobutyryladenosine-3',5'-cyclic monophosphoric acid
hmdb:HMDB0255301
NVGDLMUKSMHEQT-UHFFFAOYSA-N 		N6-Monobutyryl-cAMP
N-(9-{2,7-dihydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}-9H-purin-6-yl)butanamide
N-(9-{2,7-dihydroxy-2-oxo-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}purin-6-yl)butanamide