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CHEBI:85080 - ascorbyl dipalmitate

ChEBI IDCHEBI:85080
ChEBI Nameascorbyl dipalmitate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of the hydroxy groups at positions 5 and 6 of L-ascorbic acid with two molecules of palmitic acid.
Last Modified4 March 2015
Submitternamrata
DownloadsMolfile
FormulaC38H68O8
Net Charge0
Average Mass652.954
Monoisotopic Mass652.49142
SMILES[H][C@]1([C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)C(O)=C1O
InChIInChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(39)44-31-32(37-35(41)36(42)38(43)46-37)45-34(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,37,41-42H,3-31H2,1-2H3/t32-,37+/m0/s1
InChIKeyKQZNFGJQTPAURD-NBWQQBAWSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
ascorbyl dipalmitate (CHEBI:85080) has functional parent L-ascorbic acid (CHEBI:29073)
ascorbyl dipalmitate (CHEBI:85080) has functional parent hexadecanoic acid (CHEBI:15756)
ascorbyl dipalmitate (CHEBI:85080) has role plant metabolite (CHEBI:76924)
ascorbyl dipalmitate (CHEBI:85080) is a ascorbic acid derivative (CHEBI:63395)
ascorbyl dipalmitate (CHEBI:85080) is a fatty acid ester (CHEBI:35748)
Synonym  Source
5,6-O-dipalmitoyl-L-ascorbic acidChEBI
Registry NumbersSources
Reaxys:5367970Reaxys