CHEBI:172278 - TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))

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ChEBI Name TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:172278
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/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-29,31,33-34,38,41,60H,4-6,8-9,11-15,17-18,20-24,30,32,35-37,39-40,42-59H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,33-31-,34-27-,41-38-/t60-/m0/s1
InChIKey XRWSRVTWYXTDPC-ZWMWVCAWSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(20:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:172278) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual Xrefs Databases
59660438 ChemSpider
HMDB0050506 HMDB
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