EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180740 - PS(18:4(6Z,9Z,12Z,15Z)/16:0)

ChEBI IDCHEBI:180740
ChEBI NamePS(18:4(6Z,9Z,12Z,15Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70NO10P
Net Charge0
Average Mass755.971
Monoisotopic Mass755.47373
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,21,23,36-37H,3-4,6,8-10,12,14-16,19-20,22,24-35,41H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,18-17-,23-21-/t36-,37+/m1/s1
InChIKeyYZOOMSNXEBTBOC-XZIHVUSRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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(18:4(6Z,9Z,12Z,15Z)/16:0) (CHEBI:180740) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875931ChemSpider
HMDB0112488HMDB
LMGP03010431LIPID MAPS