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CHEBI:233903 - heptanoylglutamine

ChEBI IDCHEBI:233903
ChEBI Nameheptanoylglutamine
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SubmitterMetaboLights
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FormulaC12H22N2O4
Net Charge0
Average Mass258.318
Monoisotopic Mass258.15796
SMILESCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-3-4-5-6-11(16)14-9(12(17)18)7-8-10(13)15/h9H,2-8H2,1H3,(H2,13,15)(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyIVVBBTVTRQYHII-VIFPVBQESA-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)
heptanoylglutamine (CHEBI:233903) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
Manual XrefsDatabases
71591565ChemSpider