CHEBI:172295 - TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))

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ChEBI Name TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
ChEBI ID CHEBI:172295
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/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45-
InChIKey HOYRPNXXNBFEAZ-ZAMVXBHRSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)CC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
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(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) (CHEBI:172295) is a triglyceride (CHEBI:17855)
IUPAC Name
[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
30777979 ChemSpider
HMDB0050794 HMDB
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