CHEBI:44946 - 1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)

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ChEBI Name 1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:44946
ChEBI ASCII Name 1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)
Definition A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and (11Z)-octadec-9-enoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H77O10P
Net Charge 0
Average Mass 749.00710
Monoisotopic Mass 748.52544
InChI InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
InChIKey ADYWCMPUNIVOEA-GPJPVTGXSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC\C=C/CCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
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ChEBI Ontology
Outgoing 1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:44946) has functional parent cis-vaccenic acid (CHEBI:50464)
1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:44946) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:44946) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:44946) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:64961)
IUPAC Name
(19R,25S)-22,25,26-trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (11Z)-octadec-11-enoate
Manual Xrefs Databases
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Last Modified
23 October 2015