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CHEBI:84152 - 1-octadecanoyl-2-(3Z,6Z,9Z,12Z,15Z,18Z-docosahexaenoyl)-sn-glycero-3-phosphoserine

ChEBI IDCHEBI:84152
ChEBI Name1-octadecanoyl-2-(3Z,6Z,9Z,12Z,15Z,18Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
Stars
ASCII Name1-octadecanoyl-2-(3Z,6Z,9Z,12Z,15Z,18Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
DefinitionA 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (3Z,6Z,9Z,12Z,15Z,18Z)-docosahexaenoyl respectively.
Last Modified22 December 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC46H78NO10P
Net Charge0
Average Mass836.101
Monoisotopic Mass835.53633
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h7,9,13,15,19-20,22,24,28,30,34,36,42-43H,3-6,8,10-12,14,16-18,21,23,25-27,29,31-33,35,37-41,47H2,1-2H3,(H,50,51)(H,52,53)/b9-7-,15-13-,20-19-,24-22-,30-28-,36-34-/t42-,43+/m1/s1
InChIKeyVENABCPSJOVGEF-NQQSJJLXSA-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-octadecanoyl-2-(3Z,6Z,9Z,12Z,15Z,18Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:84152) is a 3-sn-phosphatidyl-L-serine (CHEBI:11750)
IUPAC Name 
O-{[(2R)-2-[(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine
Synonyms  Source
1-stearoyl-2-(3Z,6Z,9Z,12Z,15Z,18Z-docosahexaenoyl)-sn-glycero-3-phosphoserineChEBI
PS(18:0/22:6(3Z,6Z,9Z,12Z,15Z,18Z))ChEBI
PSer(18:0/22:6(3Z,6Z,9Z,12Z,15Z,18Z))ChEBI
Citations