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CHEBI:52669 - 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid

ChEBI IDCHEBI:52669
ChEBI Name2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid
Stars
DefinitionA heptanoic acid having an amino-substituent at the 2-position, hydroxy-substituents at the 4- and 5-positions, an oxo-substituent at the 6-position and a phosphonooxy-substituent at the 7-position.
Last Modified2 July 2009
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H14NO9P
Net Charge0
Average Mass287.161
Monoisotopic Mass287.04062
SMILESNC(CC(O)C(O)C(=O)COP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H14NO9P/c8-3(7(12)13)1-4(9)6(11)5(10)2-17-18(14,15)16/h3-4,6,9,11H,1-2,8H2,(H,12,13)(H2,14,15,16)
InChIKeyOABFYXXSGQYCAM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669) has functional parent heptanoic acid (CHEBI:45571)
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669) is a monoalkyl phosphate (CHEBI:25381)
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669) is a oxo monocarboxylic acid (CHEBI:35871)
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669) is conjugate acid of 2-azaniumyl-4,5-dihydroxy-6-oxo-7-(phosphonatooxy)heptanoate(2−) (CHEBI:58898)
Incoming Relation(s)
2-azaniumyl-4,5-dihydroxy-6-oxo-7-(phosphonatooxy)heptanoate(2−) (CHEBI:58898) is conjugate base of 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid (CHEBI:52669)
IUPAC Name 
2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid