EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79113 - 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine

ChEBI IDCHEBI:79113
ChEBI Name1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine
Stars
ASCII Name1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine
DefinitionA 3-sn-phosphatidyl-L-serine in which the acyl substituents at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively.
Last Modified23 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC44H78NO10P
Net Charge0
Average Mass812.079
Monoisotopic Mass811.53633
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40-41H,3-10,12,14-16,18,20-21,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-,24-22-,30-28-/t40-,41+/m1/s1
InChIKeySVOUGFFDROZBJI-DNALCEECSA-N
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 Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine (CHEBI:79113) has functional parent arachidonic acid (CHEBI:15843)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine (CHEBI:79113) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine (CHEBI:79113) is a 3-sn-phosphatidyl-L-serine (CHEBI:11750)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine (CHEBI:79113) is conjugate acid of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:78269)
Incoming Relation(s)
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1−) (CHEBI:78269) is conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine (CHEBI:79113)
IUPAC Name 
O-{hydroxy[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}-L-serine
Synonyms  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphoserineChEBI
1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phosphoserineChEBI
PS(18:0/20:4(5Z,8Z,11Z,14Z))LIPID MAPS
PS(18:0/20:4)LIPID MAPS
PS(18:0/20:4n6)HMDB
Phosphatidylserine(38:4)HMDB
Manual XrefsDatabases
LMGP03010039LIPID MAPS
HMDB0012383HMDB
Registry NumbersSources
Reaxys:7067341Reaxys