CHEBI:172152 - TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:3n6)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:3n6)
ChEBI ID CHEBI:172152
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/h9,12,17-18,20-21,25-29,34-35,37,60H,4-8,10-11,13-16,19,22-24,30-33,36,38-59H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,29-26-,34-27-,37-35-/t60-/m1/s1
InChIKey ZUDNKTDMLRCVEM-KWQQLQPXSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/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(22:1(13Z)/18:3(9Z,12Z,15Z)/20:3n6) (CHEBI:172152) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
59659675 ChemSpider
HMDB0051804 HMDB
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