EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184887 - 1-[(9E,11E,13E,15E)-Octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

ChEBI IDCHEBI:184887
ChEBI Name1-[(9E,11E,13E,15E)-Octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H86O6
Net Charge0
Average Mass867.309
Monoisotopic Mass866.64244
SMILESCC/C=C/C=C/C=C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)OC(=O)CCCCCCC/C=C\C=C\C=C\C=C\CC
InChIInChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-30,54H,4-6,31-53H2,1-3H3/b10-7+,11-8+,12-9+,16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26+,30-27-
InChIKeyBSOKWTTWQNVYKF-KQWCLDJMSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-[(9E,11E,13E,15E)-Octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate (CHEBI:184887) is a triglyceride (CHEBI:17855)
IUPAC Name 
[2-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropyl] (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
Manual XrefsDatabases
HMDB0038060HMDB
35014502ChemSpider