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CHEBI:180063 - PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:180063
ChEBI NamePS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,40-41H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,19-17-,24-22-,30-28-/t40-,41+/m1/s1
InChIKeyDERBZMCOPJTRSZ-LRHWHBABSA-N
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(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:180063) 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-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875822ChemSpider
HMDB0112378HMDB
LMGP03010884LIPID MAPS