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CHEBI:186199 - PS(20:4(5Z,8Z,11Z,14Z)/20:0)

ChEBI IDCHEBI:186199
ChEBI NamePS(20:4(5Z,8Z,11Z,14Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82NO10P
Net Charge0
Average Mass840.133
Monoisotopic Mass839.56763
SMILESCCCCC/C=C\C/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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,42-43H,3-10,12,14-16,18,20-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,25-23-,31-29-/t42-,43+/m1/s1
InChIKeyGBBNRADSWUALEU-AEDAHVLISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(20:4(5Z,8Z,11Z,14Z)/20:0) (CHEBI:186199) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-icosanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74876083ChemSpider
HMDB0112640HMDB
LMGP03010638LIPID MAPS