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CHEBI:196421 - PS(12:0/21:0)

ChEBI IDCHEBI:196421
ChEBI NamePS(12:0/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H76NO10P
Net Charge0
Average Mass750.008
Monoisotopic Mass749.52068
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C39H76NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-12-10-8-6-4-2/h35-36H,3-34,40H2,1-2H3,(H,43,44)(H,45,46)/t35-,36+/m1/s1
InChIKeyMWMONPWRAIEZNI-XDSPJLLDSA-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)
PS(12:0/21:0) (CHEBI:196421) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376091ChemSpider
LMGP03010064LIPID MAPS