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N(1),N(12)-diacetylspermine

PropertiesImage
MNX_IDMNXM4676 Image of MNXM4676
referencechebi:58550
formulaC14H32N4O2
global charge2
mol weight288.436
InChIKeyNPDTUDWGJMBVEP-UHFFFAOYSA-P
InChIInChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)/p+2
SMILESCC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O
MNX internals
InChI (mnx)InChI=1/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20) Image of MNXM4676
SMILES (mnx)[CH3:1][C:13](=[N:17][CH2:11][CH2:5][CH2:9][NH:15][CH2:7][CH2:3][CH2:4][CH2:8][NH:16][CH2:10][CH2:6][CH2:12][N:18]=[C:14]([CH3:2])[OH:20])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58550
chebi:58550
NPDTUDWGJMBVEP-UHFFFAOYSA-P 		N(1),N(12)-diacetylspermine
N(1),N(12)-diacetylsperminium(2+)
N,N'-bis(3-acetamidopropyl)butane-1,4-diaminium

CHEBI:28101
chebi:28101
NPDTUDWGJMBVEP-UHFFFAOYSA-N 		N(1),N(12)-diacetylspermine
DASpm
N,N'-[butane-1,4-diylbis(iminopropane-3,1-diyl)]diacetamide
N1,N12-Diacetylspermine

bigg.metabolite:C03413
biggM:C03413
NPDTUDWGJMBVEP-UHFFFAOYSA-N 		N(1),N(12)-diacetylsperminium(2+)
hmdb:HMDB0062649
NPDTUDWGJMBVEP-UHFFFAOYSA-P 		N(1),N(12)-diacetylsperminium(2+)
N(1),N(12)-Diacetylspermine
N-(3-{[4-({3-[(1-hydroxyethylidene)amino]propyl}ammonio)butyl]ammonio}propyl)ethanimidic acid
N-(3-{[4-({3-[(1-hydroxyethylidene)amino]propyl}azaniumyl)butyl]azaniumyl}propyl)ethanimidic acid

vmhM:C03413
vmhmetabolite:C03413
NPDTUDWGJMBVEP-UHFFFAOYSA-P 		N(1),N(12)-diacetylsperminium(2+)
N-[3-({4-[(3-acetamidopropyl)amino]butyl}amino)propyl]acetamide

kegg.compound:C03413
keggC:C03413
NPDTUDWGJMBVEP-UHFFFAOYSA-N 		N1,N12-Diacetylspermine
hmdb:HMDB0002172
NPDTUDWGJMBVEP-UHFFFAOYSA-N 		N1,N12-Diacetylspermine
DASpm
Diacetylspermine
N',n''-diacetylspermine
N(1),N(12)-diacetylspermine
N-[3-({4-[(3-acetamidopropyl)amino]butyl}amino)propyl]acetamide

seed.compound:cpd02158
seedM:cpd02158
NPDTUDWGJMBVEP-UHFFFAOYSA-P 		N1,N12-Diacetylspermine
N1,N12-diacetylspermine
diasprm

metacyc.compound:CPD-11268
metacycM:CPD-11268
NPDTUDWGJMBVEP-UHFFFAOYSA-P 		N1,N12-diacetylspermine

hmdb:HMDB02172
hmdb:HMDB62649
chebi:21796
chebi:7353
biggM:M_C03413
keggC:M_C03413
seedM:M_cpd02158
vmhM:M_C03413 		secondary/obsolete/fantasy identifier