CHEBI:186466 - TG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))[iso6]

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ChEBI Name TG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))[iso6]
ChEBI ID CHEBI:186466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H100O6
Net Charge 0
Average Mass 917.454
Monoisotopic Mass 916.75199
InChI InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,34,36,42,45,57H,4-7,9-10,12-15,22-24,29-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,27-25-,28-26-,36-34-,45-42-/t57-/m1/s1
InChIKey VASRPUNGSJPUPC-SQBXDWJMSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))[iso6] (CHEBI:186466) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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113373699 ChemSpider
LMGL03015674 LIPID MAPS
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