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CHEBI:180855 - PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Default Structure
ChEBI IDCHEBI:180855
ChEBI NamePS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66NO10P
Net Charge0
Average Mass775.961
Monoisotopic Mass775.44243
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C42H66NO10P/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/h5-8,11-14,17-20,23-26,38-39H,3-4,9-10,15-16,21-22,27-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t38-,39+/m1/s1
InChIKeyZXODXOPHDVEYDE-LWFBHWIKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
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)
PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:180855) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2,3-bis[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875939ChemSpider
HMDB0112496HMDB
LMGP03010441LIPID MAPS