CHEBI:185411 - (2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate

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 (2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate
ChEBI ID CHEBI:185411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H124O5
Net Charge 0
Average Mass 961.680
Monoisotopic Mass 960.94488
InChI InChI=1S/C63H124O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m1/s1
InChIKey LSBBVVQMAXPGLR-QRXDBQBNSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2R)-2-(Icosanoyloxy)-3-(octadecyloxy)propyl docosanoate (CHEBI:185411) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2R)-2-icosanoyloxy-3-octadecoxypropyl] docosanoate
Manual Xrefs Databases
59655672 ChemSpider
HMDB0046380 HMDB
View more database links