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CHEBI:89778 - 1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol

ChEBI IDCHEBI:89778
ChEBI Name1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol
Stars
ASCII Name1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-octadecenoyl and (11Z)-icosenoyl respectively.
Last Modified7 April 2016
DownloadsMolfile
FormulaC57H106O6
Net Charge0
Average Mass887.469
Monoisotopic Mass886.79894
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h25-27,29,54H,4-24,28,30-53H2,1-3H3/b27-25-,29-26-/t54-/m1/s1
InChIKeyFPUBLSPUCGHELU-AWEKCPRFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (20671299)
- MetaboLights (MTBLS92)
- PubMed (24114462)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol (CHEBI:89778) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol (CHEBI:89778) is a triacyl-sn-glycerol (CHEBI:64615)
1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol (CHEBI:89778) is a triacylglycerol 54:2 (CHEBI:85743)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (11Z)-icos-11-enoate
Synonyms  Source
Triacylglycerol(54:2)HMDB
TAG(16:0/18:1/20:1)HMDB
Triacylglycerol(16:0/18:1n9/20:1n9)HMDB
TAG(16:0/18:1w9/20:1w9)HMDB
TAG(54:2)HMDB
TG(16:0/18:1w9/20:1w9)HMDB
Manual XrefsDatabases
HMDB0005383HMDB
LMGL03010234LIPID MAPS
Citations