CHEBI:172836 - TG(14:1(9Z)/18:1(11Z)/o-18:0)

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ChEBI Name TG(14:1(9Z)/18:1(11Z)/o-18:0)
ChEBI ID CHEBI:172836
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000040164644
Download Molfile XML SDF
Formula C53H100O5
Net Charge 0
Average Mass 817.378
Monoisotopic Mass 816.75708
InChI InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,18,20,23,51H,4-14,16-17,19,21-22,24-50H2,1-3H3/b18-15-,23-20-/t51-/m1/s1
InChIKey AEZVXOVFWPFQHQ-SVLPHVQZSA-N
SMILES O(CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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 TG(14:1(9Z)/18:1(11Z)/o-18:0) (CHEBI:172836) is a diglyceride (CHEBI:18035)
IUPAC Name
[(2R)-1-octadecoxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-octadec-11-enoate
Manual Xrefs Databases
59657114 ChemSpider
HMDB0047953 HMDB
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