CHEBI:184827 - TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z))

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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(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
ChEBI ID CHEBI:184827
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C59H104O6
Net Charge 0
Average Mass 909.475
Monoisotopic Mass 908.78329
InChI InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31-32,35,41,44,56H,4-19,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,31-27-,35-32-,44-41-/t56-/m0/s1
InChIKey UOZSOMZYWBVFSX-GFQQWRFCSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) (CHEBI:184827) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual Xrefs Databases
59658387 ChemSpider
HMDB0049325 HMDB
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