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

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N(8)-acetylspermidine

	Properties	Image
MNX_ID	MNXM1679
reference	chebi:58535
formula	C₉H₂₃N₃O
global charge	2
mol weight	189.303
InChIKey	FONIWJIDLJEJTL-UHFFFAOYSA-P
InChI	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2
SMILES	CC(=O)NCCCC[NH2+]CCC[NH3+]

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58535 chebi:58535 FONIWJIDLJEJTL-UHFFFAOYSA-P	N(8)-acetylspermidine N(8)-acetylspermidinium(2+) N-(4-acetamidobutyl)propane-1,3-diaminium
CHEBI:27911 chebi:27911 FONIWJIDLJEJTL-UHFFFAOYSA-N	N(8)-acetylspermidine N(8)-monoacetylspermidine N-{4-[(3-aminopropyl)amino]butyl}acetamide N8-Acetylspermidine
vmhM:n8aspmd vmhmetabolite:n8aspmd FONIWJIDLJEJTL-UHFFFAOYSA-P	N(8)-acetylspermidinium(2+) N-{4-[(3-aminopropyl)amino]butyl}acetamide
bigg.metabolite:n8aspmd biggM:n8aspmd kegg.compound:C01029 keggC:C01029 FONIWJIDLJEJTL-UHFFFAOYSA-N FONIWJIDLJEJTL-UHFFFAOYSA-P	N8-Acetylspermidine
hmdb:HMDB0002189 FONIWJIDLJEJTL-UHFFFAOYSA-N	N8-Acetylspermidine N(8)-Acetylspermidine N(8)-Acetylspermidine dihydrochloride N(8)-Monoacetylspermidine N-[4-[(3-Aminopropyl)amino]butyl]-acetamide N-[4-[(3-Aminopropyl)amino]butyl]acetamide N-{4-[(3-aminopropyl)amino]butyl}acetamide N8-Monoacetylspermidine N8-acetylspermidine
seed.compound:cpd00758 seedM:cpd00758 FONIWJIDLJEJTL-UHFFFAOYSA-P	N8-Acetylspermidine N-[4-(3-aminopropylamino)butyl]acetamide N8-acetylspermidine n8aspmd
metacyc.compound:CPD-3462 metacycM:CPD-3462 FONIWJIDLJEJTL-UHFFFAOYSA-P	N8-acetylspermidine N-[4-(3-aminopropylamino)butyl]acetamide
hmdb:HMDB0060288 hmdb:HMDB02189 hmdb:HMDB60288 chebi:21900 chebi:7420 biggM:M_n8aspmd keggC:M_C01029 seedM:M_cpd00758 vmhM:M_n8aspmd	secondary/obsolete/fantasy identifier