CHEBI:185243 - (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate

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ChEBI Name (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate
ChEBI ID CHEBI:185243
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000040164644
Download Molfile XML SDF
Formula C58H110O5
Net Charge 0
Average Mass 887.513
Monoisotopic Mass 886.83533
InChI InChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1
InChIKey RZFGZSZUOPNJMR-AFBXCYEQSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/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
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 )
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ChEBI Ontology
Outgoing (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate (CHEBI:185243) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59653314 ChemSpider
HMDB0043820 HMDB
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