CHEBI:172236 - TG(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))

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ChEBI Name TG(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:172236
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/h8,11,16-17,19-20,25-29,34-35,37,60H,4-7,9-10,12-15,18,21-24,30-33,36,38-59H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1
InChIKey CENQKBWWUWMQCO-ROUZQHOGSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCC/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(22:2(13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:172236) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59663107 ChemSpider
HMDB0054446 HMDB
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