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beta-citryl-Glu-Glu

Go to external page http://purl.obolibrary.org/obo/CHEBI_90168

A dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a beta-citryl group.

Term info

Label

beta-citryl-Glu-Glu

Synonyms
  • L-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-alpha-glutamyl-L-glutamic acid
Subsets

3_STAR

IUPAC NAME
L-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-alpha-glutamyl-L-glutamic acid [ IUPAC ]

charge

0

formula

C16H22N2O13

has obo namespace

chebi_ontology

has related synonym

beta-citryl-L-Glu-L-Glu, beta-citryl-L-glutamyl-L-glutamic acid

id

CHEBI:90168

inchi

InChI=1S/C16H22N2O13/c19-9(20)3-1-7(13(27)17-8(14(28)29)2-4-10(21)22)18-15(30)16(31,5-11(23)24)6-12(25)26/h7-8,31H,1-6H2,(H,17,27)(H,18,30)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,28,29)/t7-,8-/m0/s1

inchikey

JVZWBVAMDACIET-YUMQZZPRSA-N

mass

450.352

monoisotopicmass

450.11219

smiles

N([C@H](C(N[C@H](C(=O)O)CCC(=O)O)=O)CCC(=O)O)C(=O)C(CC(=O)O)(CC(O)=O)O