CHEBI:184754 - (2R)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

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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 (2R)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
ChEBI ID CHEBI:184754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C54H100O5
Net Charge 0
Average Mass 829.389
Monoisotopic Mass 828.75708
InChI InChI=1S/C54H100O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(59-54(56)48-45-42-39-36-32-24-21-18-15-12-9-6-3)51-58-53(55)47-44-41-38-35-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,35,52H,4-16,18-19,21-25,27,29-32,34,36-51H2,1-3H3/b20-17-,28-26-,35-33-/t52-/m1/s1
InChIKey JULFTYLLKSHNRK-SJKHGKAXSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing (2R)-3-(Octadecyloxy)-2-(pentadecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (CHEBI:184754) is a alkyldiacylglyceride (CHEBI:166986)
IUPAC Name
[(2R)-3-octadecoxy-2-pentadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
59661628 ChemSpider
HMDB0052872 HMDB
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Last Modified
24 February 2022