CHEBI:89232 - SM(d17:1/24:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SM(d17:1/24:0)
ChEBI ID CHEBI:89232
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C46H94N2O6P
Net Charge +1
Average Mass 802.224
Monoisotopic Mass 801.68440
InChI InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b39-37+/t44-,45+/m0/s1
InChIKey NBEKBSIOEMQZTN-NMIJJABPSA-O
SMILES O(P(O)(=O)OCC[N+](C)(C)C)C[C@]([C@](\C=C\CCCCCCCCCCCC)([H])O)([H])NC(CCCCCCCCCCCCCCCCCCCCCCC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing SM(d17:1/24:0) (CHEBI:89232) is a sphingomyelin (CHEBI:64583)
Synonyms Sources
SPH(d17:1/24:0) HMDB
Sphingomyelin (d17:1/24:0) HMDB
{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidoheptadec-4-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid HMDB
Manual Xref Database
HMDB0011695 HMDB
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Citations Waiting for Citations Types Sources
18502191 PubMed citation Europe PMC
20671299 PubMed citation Europe PMC