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CHEBI:180054 - PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:180054
ChEBI NamePS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C44H76NO10P/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/h11,13-14,16-18,20-21,24,26,40-41H,3-10,12,15,19,22-23,25,27-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,18-17-,21-20-,26-24-/t40-,41+/m1/s1
InChIKeyLCGRAODNQGUJBK-VVYJDQPESA-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(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:180054) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875811ChemSpider
HMDB0112367HMDB
LMGP03010225LIPID MAPS