CHEBI:89490 - SM(d18:0/22:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name SM(d18:0/22:0)
ChEBI ID CHEBI:89490
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB71074836, ChemicalBook:CB4452184, eMolecules:483162, ZINC000001599375
Download Molfile XML SDF
Wikipedia License
1,4-Butanediol, also called Butane-1,4-diol (other names include 1,4-B, BD, BDO and 1,4-BD), is a primary alcohol and an organic compound with the formula HOCH2CH2CH2CH2OH. It is a colorless viscous liquid first synthesized in 1890 via acidic hydrolysis of N,N'-dinitro-1,4-butanediamine by Dutch chemist Pieter Johannes Dekkers, who called it "tetramethylene glycol".
Read full article at Wikipedia
Formula C45H93N2O6P
Net Charge 0
Average Mass 789.205
Monoisotopic Mass 788.67713
InChI InChI=1S/C45H93N2O6P/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/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1
InChIKey FONAXCRWZQFJHY-JCGOJSMZSA-N
SMILES CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(CCCCCCCCCCCCCCCCCCCCC)=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing SM(d18:0/22:0) (CHEBI:89490) is a sphingomyelin (CHEBI:64583)
IUPAC Name
(2-{[(2S,3R)-2-docosanamido-3-hydroxyoctadecyl phosphonato]oxy}ethyl)trimethylazanium
Synonyms Sources
N-(Docosanoyl)-sphinganine-1-phosphocholine HMDB
Sphingomyelin HMDB
Sphingomyelin (d18:0/22:0) HMDB
Manual Xrefs Databases
HMDB0012091 HMDB
Sphingomyelin Wikipedia
View more database links
Citation Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 July 2018