CHEBI:185078 - (2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate

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ChEBI Name (2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate
ChEBI ID CHEBI:185078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000040164644
Download Molfile XML SDF
Formula C59H112O5
Net Charge 0
Average Mass 901.540
Monoisotopic Mass 900.85098
InChI InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-/t57-/m1/s1
InChIKey LQFACPSTFHEEKK-BMOJGYJNSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
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-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate (CHEBI:185078) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660422 ChemSpider
HMDB0050489 HMDB
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