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

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Charine

	Properties	Image
MNX_ID	MNXM120440
reference	chebi:174609
formula	C₉H₁₄N₄O₆
global charge	0
mol weight	274.233
InChIKey	VSPBJCAGAJBGKS-UHFFFAOYSA-N
InChI	InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17)
SMILES	NC1=NC(N)=C(OC2OCC(O)C(O)C2O)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17)/t2?,3?,4?,8?
SMILES (mnx)	[CH2:1]1[CH:2]([OH:14])[CH:3]([OH:15])[CH:4]([OH:16])[CH:8]([O:19][C:5]2=[C:6]([NH2:10])[NH:12][C:9](=[NH:11])[N:13]=[C:7]2[OH:17])[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:174609 chebi:174609 VSPBJCAGAJBGKS-UHFFFAOYSA-N	Charine 2,4-diamino-5-(3,4,5-trihydroxyoxan-2-yl)oxy-1H-pyrimidin-6-one
hmdb:HMDB0039877 VSPBJCAGAJBGKS-UHFFFAOYSA-N	Charine 2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]oxane-3,4,5-triol
hmdb:HMDB39877	secondary/obsolete/fantasy identifier