CHEBI:169065 - Glyceryl lactopalmitate

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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 Glyceryl lactopalmitate
ChEBI ID CHEBI:169065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16N6O2S
Net Charge 0
Average Mass 404.450
Monoisotopic Mass 404.10554
InChI InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
InChIKey FADKMVWORSHBKJ-UHFFFAOYSA-N
SMILES S1C(=NN2C(=NN=C12)C=3NN=C(C3)C4=CC=CC=C4)C5=C(OC)C=CC=C5OC
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 Glyceryl lactopalmitate (CHEBI:169065) is a pyrazoles (CHEBI:26410)
Glyceryl lactopalmitate (CHEBI:169065) is a ring assembly (CHEBI:36820)
IUPAC Name
6-(2,6-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Manual Xrefs Databases
579020 ChemSpider
HMDB0032299 HMDB
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