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CHEBI:79096 - 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine

ChEBI IDCHEBI:79096
ChEBI Name1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine
Stars
ASCII Name1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine
DefinitionA 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and oleoyl respectively.
Last Modified12 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC42H80NO10P
Net Charge0
Average Mass790.073
Monoisotopic Mass789.55198
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b20-18-/t38-,39+/m1/s1
InChIKeyAJFWREUFUPEYII-PAHWMLEVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096) has functional parent oleic acid (CHEBI:16196)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096) has role mouse metabolite (CHEBI:75771)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096) is a phosphatidylserine(18:0/18:1) (CHEBI:90433)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096) is conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:78260)
Incoming Relation(s)
N-hexadecanoyl-O-(1-octadecanoyl-2-oleoyl-sn-glycero-3-phospho)-L-serine (CHEBI:139397) has functional parent 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096)
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:78260) is conjugate base of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine (CHEBI:79096)
IUPAC Name 
O-{hydroxy[(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}-L-serine
Synonyms  Source
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphoserineChEBI
PS(18:0/18:1)LIPID MAPS
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserineLIPID MAPS
PS(18:0/18:1(9Z))LIPID MAPS
PSer(36:1)HMDB
PS(18:0/18:1)HMDB
Manual XrefsDatabases
LMGP03010025LIPID MAPS
HMDB0010163HMDB
CPD-8336MetaCyc
Registry NumbersSources
Reaxys:1718518Reaxys
Citations