MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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8-aza-cAMP

	Properties	Image
MNX_ID	MNXM151590
reference	chebi:84609
formula	C₉H₁₁N₆O₆P
global charge	0
mol weight	330.197
InChIKey	BIGYHYCRZXFCJX-UUOKFMHZSA-N
InChI	InChI=1S/C9H11N6O6P/c10-7-4-8(12-2-11-7)15(14-13-4)9-5(16)6-3(20-9)1-19-22(17,18)21-6/h2-3,5-6,9,16H,1H2,(H,17,18)(H2,10,11,12)/t3-,5-,6-,9-/m1/s1
SMILES	NC1=C2N=NN([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)C2=NC=N1

MNX internals

InChI (mnx)	InChI=1/C9H11N6O6P/c10-7-4-8(12-2-11-7)15(14-13-4)9-5(16)6-3(20-9)1-19-22(17,18)21-6/h2-3,5-6,9,16H,1H2,(H,17,18)(H2,10,11,12)/t3-,5-,6-,9-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:3]2[C@H:6]([C@@H:5]([OH:16])[C@H:9]([N:15]3[C:8]4=[N:12][CH:2]=[N:11][C:7]([NH2:10])=[C:4]4[N:13]=[N:14]3)[O:20]2)[O:21][P:22]([OH:17])(=[O:18])[O:19]1

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
Identifier	Description
CHEBI:84609 chebi:84609 BIGYHYCRZXFCJX-UUOKFMHZSA-N	8-aza-cAMP (4aR,6R,7R,7aS)-6-(7-amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one 8-N-cAMP 8-aza-3',5'-cyclic AMP 8-azaadenosine cyclic 3',5'-phosphate