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

Feedback

imidurea

	Properties	Image
MNX_ID	MNXM57231
reference	chebi:51805
formula	C₁₁H₁₆N₈O₈
global charge	0
mol weight	388.297
InChIKey	ZCTXEAQXZGPWFG-UHFFFAOYSA-N
InChI	InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)
SMILES	O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO

MNX internals

InChI (mnx)	InChI=1/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)/t4?,5?
SMILES (mnx)	[CH2:1]([N:12]=[C:8]([NH:14][CH:4]1[C:6]([OH:22])=[N:16][C:10](=[O:26])[N:18]1[CH2:2][OH:20])[OH:24])[N:13]=[C:9]([NH:15][CH:5]1[C:7]([OH:23])=[N:17][C:11](=[O:27])[N:19]1[CH2:3][OH:21])[OH:25]

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:51805 chebi:51805 ZCTXEAQXZGPWFG-UHFFFAOYSA-N	imidurea Germall 115 N',N'''-methanediylbis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea} N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea) imidazolidinyl urea methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)
kegg.drug:D04513 keggD:D04513 ZCTXEAQXZGPWFG-UHFFFAOYSA-N	Imidurea (NF)
keggD:M_D04513	secondary/obsolete/fantasy identifier