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CHEBI:185368 - PS(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185368
ChEBI NamePS(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H74NO10P
Net Charge0
Average Mass832.069
Monoisotopic Mass831.50503
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C46H74NO10P/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/h6,8,11-14,17-20,23-26,30,32,42-43H,3-5,7,9-10,15-16,21-22,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t42-,43+/m1/s1
InChIKeyBFRMPMXNCIRWLN-SNIDHGALSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185368) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74878447ChemSpider
HMDB0116767HMDB
LMGP03010613LIPID MAPS