CHEBI:90002 - SM(d18:0/22:3(10Z,13Z,16Z))

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ChEBI Name SM(d18:0/22:3(10Z,13Z,16Z)) ChEBI ID CHEBI:90002 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C45H85N2O6P Net Charge 0 Average Mass 781.142 Monoisotopic Mass 780.61453 InChI InChI=1S/C45H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,36,38,43-44,48H,6-13,15,17-19,22,25-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b16-14-,21-20-,24-23-,38-36+/t43-,44+/m0/s1 InChIKey YTQGMICAWXIKQI-OIMFMVRSSA-N SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing SM(d18:0/22:3(10Z,13Z,16Z)) (CHEBI:90002) is a sphingomyelin (CHEBI:64583) Synonyms Sources (2-{[(2S,3R,4E)-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienamido]-3-hydroxyoctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium HMDB C22:3 Sphingomyelin HMDB N-(15Z-Tetracosenoyl)-sphing-4-enine-1-phosphocholine HMDB Manual Xrefs Databases HMDB0013468 HMDB Sphingomyelin Wikipedia View more database links Citation Type Source 24023812 PubMed citation Europe PMC