CHEBI:168472 - Tyramine glucuronide

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 Tyramine glucuronide
ChEBI ID CHEBI:168472
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H19NO7
Net Charge 0
Average Mass 313.306
Monoisotopic Mass 313.11615
InChI InChI=1S/C14H19NO7/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14,16-18H,5-6,15H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
InChIKey AQKVISOBVPVACA-BYNIDDHOSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)CCN)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Tyramine glucuronide (CHEBI:168472) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
167561 ChemSpider
Beta-D-Glucuronides MetaCyc
C03033 KEGG COMPOUND
HMDB0010328 HMDB
View more database links
Registry Number Type Source
27972-85-6 CAS Registry Number ChemIDplus