N-Phenylacetylglutamic acid (Q27162042)

phenylacetylglutamic acid (English)

9 October 2016

chemical formula

C₁₃H₁₅NO₅

1 reference

phenylacetylglutamic acid (English)

9 October 2016

canonical SMILES

C1=CC=C(C=C1)CC(=O)NC(CCC(=O)O)C(=O)O

1 reference

phenylacetylglutamic acid (English)

9 October 2016

isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)O)C(=O)O

1 reference

phenylacetylglutamic acid (English)

InChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

phenylacetylglutamic acid (English)

9 October 2016

2 references

phenylacetylglutamic acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-Phenylacetyl-l-glutamic acid (English)

9 October 2016

2 references

phenylacetylglutamic acid (English)

9 October 2016

ChEBI ID

89860

mapping relation type

2 references

N-Phenylacetylglutamic acid (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H15NO5/c15-11(8-9-4-2-1-3-5-9)14-10(13(18)19)6-7-12(16)17/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1

SureChEMBL ID

SCHEMBL6567542

2 references

based on heuristic

inferred from InChIKey

Human Metabolome Database ID

1 reference

HMDB0059772

2 references

based on heuristic

inferred from InChIKey