CHEBI:172250 - TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))

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ChEBI Name TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:172250
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/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,40,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39,41-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,40-38-/t60-/m1/s1
InChIKey JGUAQUHBDHZMOZ-AAHCZMGWSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)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 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(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:172250) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hexadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59663041 ChemSpider
HMDB0054368 HMDB
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