CHEBI:172240 - TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))

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ChEBI Name TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:172240
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/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,38,44,47,60H,4-7,9-10,12-16,18-19,21-24,30-33,36-37,39-43,45-46,48-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,38-35-,47-44-/t60-/m0/s1
InChIKey XUNGZFVNEBWUHG-OGDVSWDDSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/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 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(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:172240) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (Z)-docos-13-enoate
Manual Xrefs Databases
59659945 ChemSpider
HMDB0049977 HMDB
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