CHEBI:171302 - TG(22:1(13Z)/14:1(9Z)/20:3n6)

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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(22:1(13Z)/14:1(9Z)/20:3n6)
ChEBI ID CHEBI:171302
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C59H104O6
Net Charge 0
Average Mass 909.475
Monoisotopic Mass 908.78329
InChI InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,56H,4-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1
InChIKey RSSVAUCMKSOSJP-FXRYJFAKSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
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 Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). 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 NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
ChEBI Ontology
Outgoing TG(22:1(13Z)/14:1(9Z)/20:3n6) (CHEBI:171302) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
59659442 ChemSpider
HMDB0051532 HMDB
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