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CHEBI:168241 - PON-PS

ChEBI IDCHEBI:168241
ChEBI NamePON-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H58NO11P
Net Charge0
Average Mass651.775
Monoisotopic Mass651.37475
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC=O
InChIInChI=1S/C31H58NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(34)40-24-27(25-41-44(38,39)42-26-28(32)31(36)37)43-30(35)22-19-16-13-14-17-20-23-33/h23,27-28H,2-22,24-26,32H2,1H3,(H,36,37)(H,38,39)/t27-,28+/m1/s1
InChIKeyILIOKFZPBZGAOL-IZLXSDGUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
PON-PS (CHEBI:168241) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-(9-oxononanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP20040013LIPID MAPS