CHEBI:185204 - (2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate

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ChEBI Name (2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate
ChEBI ID CHEBI:185204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H118O5
Net Charge 0
Average Mass 931.610
Monoisotopic Mass 930.89793
InChI InChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1
InChIKey SHHFSCMXXQPSEY-VHEGMGFBSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)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 (2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate (CHEBI:185204) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2S)-3-[(Z)-icos-11-enoyl]oxy-2-octadecoxypropyl] icosanoate
Manual Xrefs Databases
59655540 ChemSpider
HMDB0046238 HMDB
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