Obscurolide A1 (CHEBI:183467)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Obscurolide A1

ChEBI ID	CHEBI:183467

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H17NO5

Net Charge

Average Mass

291.303

Monoisotopic Mass

291.11067

InChI

InChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2+

InChIKey

IZSWILLJDXDGDJ-FARCUNLSSA-N

SMILES

O1C(C(NC2=CC=C(C=C2)C(O)=O)CC1=O)/C=C/C(O)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	Obscurolide A1 (CHEBI:183467) is a aminobenzoic acid (CHEBI:22495)

IUPAC Name

4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid

Registry Number	Type	Source
144397-99-9	CAS Registry Number	ChemIDplus