Ophthalmate (CHEBI:189750)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ophthalmate

ChEBI ID	CHEBI:189750

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18N3O6

Net Charge

-1

Average Mass

288.281

Monoisotopic Mass

288.12011

InChI

InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1

InChIKey

JCMUOFQHZLPHQP-BQBZGAKWSA-M

SMILES

O=C(N[C@@H](CC)C(=O)NCC([O-])=O)CC[C@H]([NH3+])C([O-])=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Urine (NCIT:C13283). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Endometrium (NCIT:C12313). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Brush Cell (NCIT:C32236). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	Ophthalmate (CHEBI:189750) has role human metabolite (CHEBI:77746) Ophthalmate (CHEBI:189750) is a oligopeptide (CHEBI:25676) Ophthalmate (CHEBI:189750) is conjugate base of ophthalmic acid (CHEBI:84058)

Incoming	ophthalmic acid (CHEBI:84058) is conjugate acid of Ophthalmate (CHEBI:189750)

IUPAC Name

(2S)-2-azaniumyl-5-[[(2S)-1-(carboxylatomethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoate

Synonym	Source
ophthalmate	UniProt

Last Modified

12 August 2023