EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230652 - 5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

ChEBI IDCHEBI:230652
ChEBI Name5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2O20
Net Charge0
Average Mass556.298
Monoisotopic Mass556.02964
SMILESCN(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(C(=O)O)(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C16H16N2O20/c1-18(12(37)38)16(10(33)34,11(35)36)15(8(29)30,9(31)32)14(6(25)26,7(27)28)13(4(21)22,5(23)24)2(17)3(19)20/h2H,17H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)
InChIKeyKLZLEXIXVMJJSP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (CHEBI:230652) is a α-amino acid (CHEBI:33704)
IUPAC Name 
5-amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid
Manual XrefsDatabases
HMDB0260380HMDB