EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187990 - PS(18:2(9Z,12Z)/19:0)

ChEBI IDCHEBI:187990
ChEBI NamePS(18:2(9Z,12Z)/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H80NO10P
Net Charge0
Average Mass802.084
Monoisotopic Mass801.55198
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,39-40H,3-11,13,15-17,19,21-38,44H2,1-2H3,(H,47,48)(H,49,50)/b14-12-,20-18-/t39-,40+/m1/s1
InChIKeyBOWXOWPWTSBMCD-XUJMPRFSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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(18:2(9Z,12Z)/19:0) (CHEBI:187990) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-nonadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
113376289ChemSpider
LMGP03010354LIPID MAPS