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

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(Sp)-cGMPS

	Properties	Image
MNX_ID	MNXM149855
reference	chebi:84640
formula	C₁₀H₁₂N₅O₆PS
global charge	0
mol weight	361.276
InChIKey	JZAJZXRXCHCRMU-FHIGPPGSSA-N
InChI	InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1
SMILES	NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3CO[P@](=O)(S)O[C@H]3[C@H]2O)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/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[CH:2]=[N:12][C:4]4=[C:7]3[NH:13][C:10](=[NH:11])[N:14]=[C:8]4[OH:17])[O:20]2)[O:21][P@@:22]([OH:18])(=[S:23])[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:84640 chebi:84640 JZAJZXRXCHCRMU-FHIGPPGSSA-N	(Sp)-cGMPS (Sp)-guanosine-3',5'-cyclic monophosphorothioate 2-amino-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyltetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one Sp-cGMPS guanosine-3,5-cyclic monophosphorothioate, Sp-isomer