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

Feedback

peramine

	Properties	Image
MNX_ID	MNXM149160
reference	chebi:232088
formula	C₁₂H₁₈N₅O
global charge	1
mol weight	248.31
InChIKey	GQWWGRUJOCIUKI-UHFFFAOYSA-O
InChI	InChI=1S/C12H17N5O/c1-16-9(4-2-6-15-12(13)14)8-17-7-3-5-10(17)11(16)18/h3,5,7-8H,2,4,6H2,1H3,(H4,13,14,15)/p+1
SMILES	CN1C(=O)C2=CC=CN2C=C1CCCNC(N)=[NH2+]

MNX internals

InChI (mnx)	InChI=1/C12H17N5O/c1-16-9(4-2-6-15-12(13)14)8-17-7-3-5-10(17)11(16)18/h3,5,7-8H,2,4,6H2,1H3,(H4,13,14,15)
SMILES (mnx)	[CH3:1][N:16]1[C:9]([CH2:4][CH2:2][CH2:6][NH:15][C:12](=[NH:13])[NH2:14])=[CH:8][N:17]2[CH:7]=[CH:3][CH:5]=[C:10]2[C:11]1=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:232088 chebi:232088 GQWWGRUJOCIUKI-UHFFFAOYSA-O	peramine amino{[3-(2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-3-yl)propyl]amino}methaniminium peramine cation peramine(1+)
seed.compound:cpd35758 seedM:cpd35758 GQWWGRUJOCIUKI-UHFFFAOYSA-O	2-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine peramine
hmdb:HMDB0256303 GQWWGRUJOCIUKI-UHFFFAOYSA-N	Peramine N-(3-{2-methyl-1-oxo-1H,2H-pyrrolo[1,2-a]pyrazin-3-yl}propyl)guanidine N-(3-{2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl}propyl)guanidine
CHEBI:232090 chebi:232090 GQWWGRUJOCIUKI-UHFFFAOYSA-N	peramine 1-[3-(2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine N-[3-(2-methyl-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine
metacyc.compound:CPD-17338 metacycM:CPD-17338 GQWWGRUJOCIUKI-UHFFFAOYSA-O	peramine 2-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]guanidine
seedM:M_cpd35758	secondary/obsolete/fantasy identifier