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CHEBI:196854 - PS(O-20:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:196854
ChEBI NamePS(O-20:0/18:3(6Z,9Z,12Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H82NO9P
Net Charge0
Average Mass800.112
Monoisotopic Mass799.57272
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H82NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-51-38-41(39-52-55(49,50)53-40-42(45)44(47)48)54-43(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,26,28,41-42H,3-11,13,15-17,19-21,23-25,27,29-40,45H2,1-2H3,(H,47,48)(H,49,50)/b14-12-,22-18-,28-26-/t41-,42+/m1/s1
InChIKeyMNIQEYJJOYWJDE-ZEMQJROBSA-N
ChEBI Ontology
Outgoing Relation(s)
PS(O-20:0/18:3(6Z,9Z,12Z)) (CHEBI:196854) is a ether lipid (CHEBI:64611)
PS(O-20:0/18:3(6Z,9Z,12Z)) (CHEBI:196854) is a glycerophosphoserine (CHEBI:35766)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-icosoxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
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LMGP03020054LIPID MAPS
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