CHEBI:176742 - SM(d14:0/27:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name SM(d14:0/27:0)
ChEBI ID CHEBI:176742
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H95N2O6P
Net Charge 0
Average Mass 803.248
Monoisotopic Mass 802.69278
InChI InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1
InChIKey SHGMMFOWDHTTNK-YWPUXERESA-N
SMILES P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing SM(d14:0/27:0) (CHEBI:176742) is a phosphocholines (CHEBI:36700)
IUPAC Name
[(2S,3R)-2-(heptacosanoylamino)-3-hydroxytetradecyl] 2-(trimethylazaniumyl)ethyl phosphate