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CHEBI:192333 - PS(15:0/18:2(9Z,12Z))

ChEBI IDCHEBI:192333
ChEBI NamePS(15:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72NO10P
Net Charge0
Average Mass745.976
Monoisotopic Mass745.48938
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O
InChIInChI=1S/C39H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,35-36H,3-10,12,14-16,19-34,40H2,1-2H3,(H,43,44)(H,45,46)/b13-11-,18-17-/t35-,36+/m1/s1
InChIKeyPQNAZHVNKDOOFJ-QBXSHKFASA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
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(15:0/18:2(9Z,12Z)) (CHEBI:192333) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875768ChemSpider
HMDB0112323HMDB
LMGP03010913LIPID MAPS