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caldopentamine

PropertiesImage
MNX_IDMNXM45250 Image of MNXM45250
referencechebi:82769
formulaC12H35N5
global charge4
mol weight249.447
InChIKeyBELZJFWUNQWBES-UHFFFAOYSA-R
InChIInChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2/p+4
SMILESNCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2 Image of MNXM45250
SMILES (mnx)[CH2:1]([CH2:5][NH2:13])[CH2:7][NH:15][CH2:9][CH2:3][CH2:11][NH:17][CH2:12][CH2:4][CH2:10][NH:16][CH2:8][CH2:2][CH2:6][NH2:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:82769
chebi:82769
BELZJFWUNQWBES-UHFFFAOYSA-R 		caldopentamine
N-(3-aminopropyl)-N'-{3-[(3-azaniumylpropyl)azaniumyl]propyl}propane-1,3-diaminium
caldopentamine(4+)

kegg.compound:C21100
keggC:C21100
BELZJFWUNQWBES-UHFFFAOYSA-N 		Caldopentamine
N-(3-Aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}-1,3-propanediamine

seed.compound:cpd23905
seedM:cpd23905
BELZJFWUNQWBES-UHFFFAOYSA-R 		N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-1,3-propanediamine
N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)propane-1,3-diamine
caldopentamine
tetrapropylenepentamine
tetratrimethylenepentamine

CHEBI:82768
chebi:82768
BELZJFWUNQWBES-UHFFFAOYSA-S 		caldopentamine(5+)
N-(3-ammoniopropyl)-N'-{3-[(3-ammoniopropyl)ammonio]propyl}propane-1,3-diaminium
N-(3-azaniumylpropyl)-N'-{3-[(3-azaniumylpropyl)azaniumyl]propyl}propane-1,3-diaminium

metacyc.compound:CPD-13491
metacycM:CPD-13491
BELZJFWUNQWBES-UHFFFAOYSA-S 		caldopentamine
N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-1,3-propanediamine
N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)propane-1,3-diamine
tetrapropylenepentamine
tetratrimethylenepentamine

CHEBI:83546
chebi:83546
BELZJFWUNQWBES-UHFFFAOYSA-N 		caldopentamine
N-(3-aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}propane-1,3-diamine
Tetratrimethylenepentamine
tetrapropylenepentamine

keggC:M_C21100
seedM:M_cpd23905 		secondary/obsolete/fantasy identifier