CHEBI:185011 - (2R)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate

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ChEBI Name (2R)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate
ChEBI ID CHEBI:185011
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H116O5
Net Charge 0
Average Mass 929.594
Monoisotopic Mass 928.88228
InChI InChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-/t59-/m1/s1
InChIKey QZSMPWVATGOHPH-IRFFKQRJSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)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)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate (CHEBI:185011) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-octadecoxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660455 ChemSpider
HMDB0050527 HMDB
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