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CHEBI:180636 - PS(O-20:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:180636
ChEBI NamePS(O-20:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H88NO9P
Net Charge0
Average Mass854.204
Monoisotopic Mass853.61967
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C48H88NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-47(50)58-45(43-56-59(53,54)57-44-46(49)48(51)52)42-55-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,28,30,45-46H,3-10,12,14-16,18,20-22,25-27,29,31-44,49H2,1-2H3,(H,51,52)(H,53,54)/b13-11-,19-17-,24-23-,30-28-/t45-,46+/m1/s1
InChIKeyQDCLIEMDHNMIGJ-NUZBEXIASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PS(O-20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:180636) is a ether lipid (CHEBI:64611)
PS(O-20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:180636) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-icosoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
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LMGP03020068LIPID MAPS