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

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(Rp)-cAMPS

	Properties	Image
MNX_ID	MNXM149709
reference	chebi:84622
formula	C₁₀H₁₂N₅O₅PS
global charge	0
mol weight	345.277
InChIKey	SMPNJFHAPJOHPP-PUHOFUEYSA-N
InChI	InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1
SMILES	NC1=C2N=CN([C@@H]3O[C@@H]4CO[P@@](=O)(S)O[C@H]4[C@H]3O)C2=NC=N1

MNX internals

InChI (mnx)	InChI=1/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1
SMILES (mnx)	[CH2:1]1[C@@H:4]2[C@H:7]([C@@H:6]([OH:16])[C@H:10]([N:15]3[CH:3]=[N:14][C:5]4=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]43)[O:19]2)[O:20][P@:21]([OH:17])(=[S:22])[O:18]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:84622 chebi:84622 SMPNJFHAPJOHPP-PUHOFUEYSA-N	(Rp)-cAMPS (2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one (Rp)-adenosine-3',5'-cyclic monophosphorothioate Rp-cAMPS adenosine-3',5'-cyclic monophosphorothioate, Rp-isomer