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CHEBI:191926 - [9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium

ChEBI IDCHEBI:191926
ChEBI Name[9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium
Stars
Last Modified25 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H56N6O10
Net Charge+6
Average Mass660.810
Monoisotopic Mass660.40250
SMILES[NH3+]C(CCCCC(CCC([NH3+])C(=O)O)c1c(CCC([NH3+])C(=O)O)c[n+](CCCCC([NH3+])C(=O)O)cc1CCC([NH3+])C(=O)O)C(=O)O
InChIInChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+6
InChIKeyIQEPQBCFQPLNCF-UHFFFAOYSA-T
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
[9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium (CHEBI:191926) has functional parent hexacarboxylic acid (CHEBI:59359)
[9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium (CHEBI:191926) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[9-azaniumyl-4-[1-(5-azaniumyl-5-carboxypentyl)-3,5-bis(3-azaniumyl-3-carboxypropyl)pyridin-1-ium-4-yl]-1,9-dicarboxynonyl]azanium
Synonym  Source
AllodesmosineChEBI