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CHEBI:185955 - 1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phosphosulfocholine

Default Structure
ChEBI IDCHEBI:185955
ChEBI Name1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phosphosulfocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H73O8PS
Net Charge0
Average Mass709.024
Monoisotopic Mass708.47638
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[S+](C)C
InChIInChI=1S/C37H73O8PS/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(39)45-35(34-44-46(40,41)43-31-32-47(3)4)33-42-36(38)29-27-25-23-21-19-16-14-12-10-8-6-2/h35H,5-34H2,1-4H3/t35-/m1/s1
InChIKeySPCFNTSZQSEJLJ-PGUFJCEWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-tetradecanoyl-2-hexadecanoyl-sn-glycero-3-phosphosulfocholine (CHEBI:185955) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
2-dimethylsulonioethyl [(2R)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] phosphate
Manual XrefsDatabases
24822192ChemSpider
LMGP00000052LIPID MAPS