CHEBI:190200 - TG(18:0/16:0/18:2)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TG(18:0/16:0/18:2)
ChEBI ID CHEBI:190200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H102O6
Net Charge 0
Average Mass 859.415
Monoisotopic Mass 858.76764
InChI InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,52H,4-15,17-18,20-24,26,28-51H2,1-3H3/b19-16-,27-25-/t52-/m1/s1
InChIKey SXWAFZSPSNNGGS-AXYZMXSISA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Canis lupus (NCBI:txid9612) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:0/16:0/18:2) (CHEBI:190200) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
Manual Xrefs Databases
59654144 ChemSpider
HMDB0044734 HMDB
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