CHEBI:73234 - 1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)

ChEBI IDCHEBI:73234
ChEBI Name1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)
Stars
ASCII Name1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol)
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and (9Z)-octadec-9-enoyl (oleoyl) respectively.
Last Modified23 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC40H77O10P
Net Charge0
Average Mass749.020
Monoisotopic Mass748.52544
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=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/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1
InChIKeyPAZGBAOHGQRCBP-HGWHEPCSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73234) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73234) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:64961)
1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73234) is conjugate acid of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72841)
Incoming Relation(s)
1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72841) is conjugate base of 1-hexadecanoyl-2-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73234)
IUPAC Name 
(19R,25S)-22,25,26-trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
Synonyms  Source
PG(16:0/18:1(9Z))LIPID MAPS
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerolLIPID MAPS
1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)ChEBI
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerolKEGG COMPOUND
PG(34:1)HMDB
GPG(34:1)HMDB
Manual XrefsDatabases
C13883KEGG COMPOUND
LMGP04010987LIPID MAPS
HMDB0010574HMDB
Registry NumbersSources
Reaxys:11232168Reaxys
Citations