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CHEBI:184912 - 6-[3,5-Bis(3-amino-3-carboxypropyl)-4-(1,9-diamino-1,9-dicarboxy-4-nonanyl)-1-pyridiniumyl]norleucine

ChEBI IDCHEBI:184912
ChEBI Name6-[3,5-Bis(3-amino-3-carboxypropyl)-4-(1,9-diamino-1,9-dicarboxy-4-nonanyl)-1-pyridiniumyl]norleucine
Stars
Last Modified25 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H51N6O10
Net Charge+1
Average Mass655.770
Monoisotopic Mass655.36612
SMILESNC(CCCCC(CCC(N)C(=O)O)c1c(CCC(N)C(=O)O)c[n+](CCCCC(N)C(=O)O)cc1CCC(N)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+1
InChIKeyIQEPQBCFQPLNCF-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-[3,5-Bis(3-amino-3-carboxypropyl)-4-(1,9-diamino-1,9-dicarboxy-4-nonanyl)-1-pyridiniumyl]norleucine (CHEBI:184912) has functional parent hexacarboxylic acid (CHEBI:59359)
6-[3,5-Bis(3-amino-3-carboxypropyl)-4-(1,9-diamino-1,9-dicarboxy-4-nonanyl)-1-pyridiniumyl]norleucine (CHEBI:184912) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2,10-diamino-5-[1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-4-yl]undecanedioic acid
Synonym  Source
AllodesmosineChEBI
Manual XrefsDatabases
35031954ChemSpider
HMDB0040704HMDB