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

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N(1)-acetylspermidine

	Properties	Image
MNX_ID	MNXM501
reference	chebi:58324
formula	C₉H₂₃N₃O
global charge	2
mol weight	189.303
InChIKey	MQTAVJHICJWXBR-UHFFFAOYSA-P
InChI	InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2
SMILES	CC(=O)NCCC[NH2+]CCCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
SMILES (mnx)	[CH3:1][C:9](=[N:12][CH2:8][CH2:4][CH2:7][NH:11][CH2:6][CH2:3][CH2:2][CH2:5][NH2:10])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	14

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58324 chebi:58324 MQTAVJHICJWXBR-UHFFFAOYSA-P	N(1)-acetylspermidine N(1)-acetylspermidinium N(1)-acetylspermidinium dication N(1)-acetylspermidinium(2+) N-(3-acetamidopropyl)butane-1,4-diaminium
reactome:R-ALL-141349 reactomeM:R-ALL-141349 reactome:R-ALL-353555 reactomeM:R-ALL-353555 CHEBI:17927 chebi:17927 MQTAVJHICJWXBR-UHFFFAOYSA-N	N(1)-acetylspermidine 1-N-acetylspermidine N-{3-[(4-aminobutyl)amino]propyl}acetamide N1-Acetylspermidine
vmhM:N1aspmd vmhmetabolite:N1aspmd MQTAVJHICJWXBR-UHFFFAOYSA-P	N(1)-acetylspermidinium(2+) N-{3-[(4-aminobutyl)amino]propyl}acetamide
bigg.metabolite:N1aspmd biggM:N1aspmd kegg.compound:C00612 keggC:C00612 MQTAVJHICJWXBR-UHFFFAOYSA-N MQTAVJHICJWXBR-UHFFFAOYSA-P	N1-Acetylspermidine
hmdb:HMDB0001276 MQTAVJHICJWXBR-UHFFFAOYSA-N	N1-Acetylspermidine 1-N-Acetylspermidine An N-acetylspermidine N(1)-Acetylspermidine N-(3-((4-Aminobutyl)amino)propyl)-acetamide N-(3-((4-Aminobutyl)amino)propyl)acetamide N-Acetylspermidine N-{3-[(4-aminobutyl)amino]propyl}acetamide N1-acetylspermidine
sabiork.compound:5158 sabiorkM:5158 MQTAVJHICJWXBR-UHFFFAOYSA-N	N1-Acetylspermidine N-Acetylspermidine
seed.compound:cpd00470 seedM:cpd00470 MQTAVJHICJWXBR-UHFFFAOYSA-P	N1-Acetylspermidine N1-acetylspermidine N1aspmd an N-acetylspermidine
metacyc.compound:CPD-568 metacycM:CPD-568 MQTAVJHICJWXBR-UHFFFAOYSA-P	N1-acetylspermidine an N-acetylspermidine
hmdb:HMDB01276 chebi:12625 chebi:21798 chebi:7356 biggM:M_N1aspmd keggC:M_C00612 seedM:M_cpd00470 vmhM:M_N1aspmd	secondary/obsolete/fantasy identifier