2,2'-iminodipropanoic acid (CHEBI:857)

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CHEBI:857 - 2,2'-iminodipropanoic acid

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ChEBI ID	CHEBI:857
ChEBI Name	2,2'-iminodipropanoic acid
Stars
Definition	An amino dicarboxylic acid that is 2,2'-iminodiacetic acid substituted by methyl groups at positions 2 and 2'.
Last Modified	30 January 2015
Downloads	Molfile

Formula	C6H11NO4
Net Charge	0
Average Mass	161.157
Monoisotopic Mass	161.06881
SMILES	CC(NC(C)C(=O)O)C(=O)O
InChI	InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)
InChIKey	FIOHTMQGSFVHEZ-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:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	2,2'-iminodipropanoic acid (CHEBI:857) has functional parent propionic acid (CHEBI:30768)
	2,2'-iminodipropanoic acid (CHEBI:857) is a amino acid opine (CHEBI:83229)
	2,2'-iminodipropanoic acid (CHEBI:857) is a amino dicarboxylic acid (CHEBI:36164)
	2,2'-iminodipropanoic acid (CHEBI:857) is conjugate acid of 2,2'-iminodipropanoate (CHEBI:17560)
	2,2'-iminodipropanoic acid (CHEBI:857) is conjugate acid of 2,2'-iminodipropanoate(1−) (CHEBI:58934)
Incoming Relation(s)
	(R,R)-2,2'-iminodipropanoic acid (CHEBI:37027) is a 2,2'-iminodipropanoic acid (CHEBI:857)
	(S,S)-2,2'-iminodipropanoic acid (CHEBI:37029) is a 2,2'-iminodipropanoic acid (CHEBI:857)
	meso-2,2'-iminodipropanoic acid (CHEBI:37028) is a 2,2'-iminodipropanoic acid (CHEBI:857)
	2,2'-iminodipropanoate (CHEBI:17560) is conjugate base of 2,2'-iminodipropanoic acid (CHEBI:857)
	2,2'-iminodipropanoate(1−) (CHEBI:58934) is conjugate base of 2,2'-iminodipropanoic acid (CHEBI:857)

IUPAC Name
2,2'-azanediyldipropanoic acid

Synonyms	Source
2,2'-Iminodipropanoate	KEGG COMPOUND
Alanopine	KEGG COMPOUND

Manual Xrefs	Databases
C03210	KEGG COMPOUND
CPD-310	MetaCyc
HMDB0033747	HMDB

Registry Numbers	Sources
Reaxys:1725221	Reaxys
Gmelin:406412	Gmelin

Citations