2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976)

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CHEBI:32976 - 2,3,4,5-tetrahydrodipicolinic acid

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ChEBI ID	CHEBI:32976
ChEBI Name	2,3,4,5-tetrahydrodipicolinic acid
Stars
Definition	An amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions.
Last Modified	30 January 2015
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C7H9NO4
Net Charge	0
Average Mass	171.152
Monoisotopic Mass	171.05316
SMILES	O=C(O)C1=NC(C(=O)O)CCC1
InChI	InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKey	CXMBCXQHOXUCEO-UHFFFAOYSA-N

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).
Biological Role:	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology

Outgoing Relation(s)
	2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) has functional parent dipicolinic acid (CHEBI:46837)
	2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) has role Escherichia coli metabolite (CHEBI:76971)
	2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) is a amino dicarboxylic acid (CHEBI:36164)
	2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) is a tetrahydropyridine (CHEBI:26921)
	2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) is conjugate acid of 2,3,4,5-tetrahydrodipicolinate(2−) (CHEBI:11408)
Incoming Relation(s)
	(R)-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32975) is a 2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976)
	(S)-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:864) is a 2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976)
	2,3,4,5-tetrahydrodipicolinate(2−) (CHEBI:11408) is conjugate base of 2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976)

IUPAC Name
2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

Synonyms	Source
2,3,4,5-tetrahydro-2,6-pyridinedicarboxylic acid	ChemIDplus
THDPA	ChemIDplus

Manual Xrefs	Databases
ECMDB12289	ECMDB
HMDB0012289	HMDB

Registry Numbers	Sources
Reaxys:391974	Reaxys
CAS:2353-17-5	ChemIDplus

Citations