CHEBI:89233 - SM(d16:1/24:1(15Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SM(d16:1/24:1(15Z))
ChEBI ID CHEBI:89233
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H90N2O6P
Net Charge +1
Average Mass 786.181
Monoisotopic Mass 785.65310
InChI InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,36,38,43-44,48H,6-18,21-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/p+1/b20-19-,38-36+/t43-,44+/m0/s1
InChIKey FOULCGVQZYQEQM-DNXGLLHMSA-O
SMILES O(P(O)(=O)OCC[N+](C)(C)C)C[C@]([C@](\C=C\CCCCCCCCCCC)([H])O)([H])NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing SM(d16:1/24:1(15Z)) (CHEBI:89233) is a N-acylhexadecasphingosine-1-phosphocholine (CHEBI:82896)
SM(d16:1/24:1(15Z)) (CHEBI:89233) is a sphingomyelin (CHEBI:64583)
Synonyms Sources
SPH(d16:1/24:1(15Z)) HMDB
Sphingomyelin (d16:1/24:1(15Z)) HMDB
{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]hexadec-4-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid HMDB
Manual Xref Database
HMDB0011694 HMDB
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Citations Waiting for Citations Types Sources
18502191 PubMed citation Europe PMC
20671299 PubMed citation Europe PMC
Last Modified
26 August 2016