CHEBI:172206 - TG(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name TG(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:172206
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/h9,12,17-18,20-21,26-27,29,34-35,37,43,46,60H,4-8,10-11,13-16,19,22-25,28,30-33,36,38-42,44-45,47-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1
InChIKey ZHIOVQHMKSJKIC-KAQYKJLLSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
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(22:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:172206) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] docosanoate
Manual Xrefs Databases
59656069 ChemSpider
HMDB0046845 HMDB
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