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CHEBI:229799 - ps(16:1(9z)/22:2(13z,16z))

ChEBI IDCHEBI:229799
ChEBI Nameps(16:1(9z)/22:2(13z,16z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80NO10P
Net Charge0
Average Mass814.095
Monoisotopic Mass813.55198
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,40-41H,3-10,12,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,18-17-/t40-,41+/m1/s1
InChIKeyHLTSLFKLCKEHJR-FQQDVVKSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
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(16:1(9z)/22:2(13z,16z)) (CHEBI:229799) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875810ChemSpider
HMDB0112366HMDB
LMGP03010224LIPID MAPS