CHEBI:171602 - Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)

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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 Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate)
ChEBI ID CHEBI:171602
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H100O6
Net Charge 0
Average Mass 833.377
Monoisotopic Mass 832.75199
InChI InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+
InChIKey YHMDGPZOSGBQRH-OCEACIFDSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Glycerol 1,2-dihexadecanoate 3-(9Z-octadecenoate) (CHEBI:171602) is a triglyceride (CHEBI:17855)
IUPAC Name
2,3-di(hexadecanoyloxy)propyl (E)-octadec-9-enoate
Manual Xrefs Databases
4781639 ChemSpider
HMDB0031119 HMDB
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