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CHEBI:180795 - PS(20:3(5Z,8Z,11Z)/24:0)

ChEBI IDCHEBI:180795
ChEBI NamePS(20:3(5Z,8Z,11Z)/24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H92NO10P
Net Charge0
Average Mass898.257
Monoisotopic Mass897.64588
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,46-47H,3-17,19,21-26,28,30-32,34,36-45,51H2,1-2H3,(H,54,55)(H,56,57)/b20-18-,29-27-,35-33-/t46-,47+/m1/s1
InChIKeyUQOKHQYLTIAHNP-DAINXZMNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
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(20:3(5Z,8Z,11Z)/24:0) (CHEBI:180795) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876062ChemSpider
HMDB0112619HMDB