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CHEBI:187727 - PS(22:1(11Z)/22:1(11Z))

ChEBI IDCHEBI:187727
ChEBI NamePS(22:1(11Z)/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H94NO10P
Net Charge0
Average Mass900.273
Monoisotopic Mass899.66153
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChIInChI=1S/C50H94NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21-24,46-47H,3-20,25-45,51H2,1-2H3,(H,54,55)(H,56,57)/b23-21-,24-22-/t46-,47+/m1/s1
InChIKeyNSQLUVJLFRVMJK-IVWIVTEPSA-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(22:1(11Z)/22:1(11Z)) (CHEBI:187727) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-docos-11-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376493ChemSpider
LMGP03010752LIPID MAPS