CHEBI:89755 - 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol

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ChEBI Name 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol
ChEBI ID CHEBI:89755
ChEBI ASCII Name 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol
Definition A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, octadecanoyl and (9Z)-octadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085552475
Download Molfile XML SDF
Formula C55H104O6
Net Charge 0
Average Mass 861.413
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-/t52-/m1/s1
InChIKey NPCZZYKITFKRQZ-FQUZZJBASA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) is a triacyl-sn-glycerol (CHEBI:64615)
1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) is a triacylglycerol 52:1 (CHEBI:90302)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
Synonyms Sources
1-hexadecanoyl-2-octadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol LIPID MAPS
1-Palmitoyl-2-stearoyl-3-oleoyl-glycerol HMDB
1-palmitoyl-2-stearoyl-3-oleoyl-sn-glycerol ChEBI
TAG(16:0/18:0/18:1) HMDB
TAG(16:0/18:0/18:1n9) HMDB
TAG(16:0/18:0/18:1w9) HMDB
TAG(52:1) HMDB
TG(16:0/18:0/18:1(9Z)) ChEBI
TG(16:0/18:0/18:1(9Z))[iso6] LIPID MAPS
TG(16:0/18:0/18:1) HMDB
TG(16:0/18:0/18:1)[iso6] LIPID MAPS
TG(16:0/18:0/18:1n9) HMDB
TG(16:0/18:0/18:1w9) HMDB
TG(52:1) HMDB
Triacylglycerol(16:0/18:0/18:1) HMDB
Triacylglycerol(16:0/18:0/18:1n9) HMDB
Triacylglycerol(16:0/18:0/18:1w9) HMDB
Triacylglycerol(52:1) HMDB
Manual Xrefs Databases
HMDB0005367 HMDB
LMGL03010085 LIPID MAPS
View more database links
Citation Type Source
20671299 PubMed citation Europe PMC
Last Modified
07 April 2016