CHEBI:171573 - Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate

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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-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate
ChEBI ID CHEBI:171573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H104O6
Net Charge 0
Average Mass 861.431
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/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/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+
InChIKey WRXCJQWYSUUELD-IMVLJIQESA-N
SMILES O(C(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)C(=O)CCCCCCCCCCCCCCC
Metabolite of Species Details
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 HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
ChEBI Ontology
Outgoing Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate (CHEBI:171573) is a triglyceride (CHEBI:17855)
IUPAC Name
[2-hexadecanoyloxy-3-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate
Manual Xrefs Databases
35013713 ChemSpider
HMDB0034385 HMDB
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