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

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N(1)-acetylspermine

	Properties	Image
MNX_ID	MNXM600
reference	chebi:58101
formula	C₁₂H₃₁N₄O
global charge	3
mol weight	247.407
InChIKey	GUNURVWAJRRUAV-UHFFFAOYSA-Q
InChI	InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)/p+3
SMILES	CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
SMILES (mnx)	[CH3:1][C:12](=[N:16][CH2:11][CH2:5][CH2:10][NH:15][CH2:8][CH2:3][CH2:2][CH2:7][NH:14][CH2:9][CH2:4][CH2:6][NH2:13])[OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-141323 reactomeM:R-ALL-141323 reactome:R-ALL-353575 reactomeM:R-ALL-353575 CHEBI:58101 chebi:58101 GUNURVWAJRRUAV-UHFFFAOYSA-Q	N(1)-acetylspermine N(1)-acetylsperminium trication N(1)-acetylsperminium(3+) N-(3-acetamidopropyl)-N'-(3-azaniumylpropyl)butane-1,4-diaminium
CHEBI:17312 chebi:17312 GUNURVWAJRRUAV-UHFFFAOYSA-N	N(1)-acetylspermine N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide N1-Acetylspermine
hmdb:HMDB0062644 GUNURVWAJRRUAV-UHFFFAOYSA-Q	N(1)-acetylsperminium(3+) N(1)-Acetylspermine N(1)-Acetylsperminium trication {4-[(3-ammoniopropyl)ammonio]butyl}({3-[(1-hydroxyethylidene)amino]propyl})azanium {4-[(3-azaniumylpropyl)azaniumyl]butyl}({3-[(1-hydroxyethylidene)amino]propyl})azanium
vmhM:N1sprm vmhmetabolite:N1sprm GUNURVWAJRRUAV-UHFFFAOYSA-Q	N(1)-acetylsperminium(3+) N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
bigg.metabolite:N1sprm biggM:N1sprm GUNURVWAJRRUAV-UHFFFAOYSA-Q	N1 Acetylspermine
kegg.compound:C02567 keggC:C02567 GUNURVWAJRRUAV-UHFFFAOYSA-N	N1-Acetylspermine
hmdb:HMDB0001186 GUNURVWAJRRUAV-UHFFFAOYSA-N	N1-Acetylspermine Monoacetylspermine N'-acetylspermine N'-monoacetylspermine N(1)-Acetylspermine N(1)-acetylspermine N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-acetamide N-Acetylspermine N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide N1-Monoacetylspermine
sabiork.compound:6265 sabiorkM:6265 GUNURVWAJRRUAV-UHFFFAOYSA-N	N1-Acetylspermine N-Acetylspermine
seed.compound:cpd01680 seedM:cpd01680 GUNURVWAJRRUAV-UHFFFAOYSA-Q	N1-Acetylspermine N1-acetylspermine N1sprm
metacyc.compound:N1-ACETYLSPERMINE metacycM:N1-ACETYLSPERMINE GUNURVWAJRRUAV-UHFFFAOYSA-Q	N1-acetylspermine
hmdb:HMDB01186 hmdb:HMDB62644 chebi:12626 chebi:21799 chebi:7357 biggM:M_N1sprm keggC:M_C02567 seedM:M_cpd01680 vmhM:M_N1sprm	secondary/obsolete/fantasy identifier