CHEBI:172292 - TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

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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(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
ChEBI ID CHEBI:172292
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H108O6
Net Charge 0
Average Mass 961.551
Monoisotopic Mass 960.81459
InChI InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,22-23,25,27,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,34-32-,42-39-,51-48-/t60-/m1/s1
InChIKey WMDYLLRRIFWSDG-YUUVWDCISA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) (CHEBI:172292) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] docosanoate
Manual Xrefs Databases
59656166 ChemSpider
HMDB0046959 HMDB
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