CHEBI:136273 - N-(octadecanoyl)hexadecasphingosine-1-phosphocholine

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ChEBI Name N-(octadecanoyl)hexadecasphingosine-1-phosphocholine
ChEBI ID CHEBI:136273
ChEBI ASCII Name N-(octadecanoyl)hexadecasphingosine-1-phosphocholine
Definition A sphingomyelin 34:1 obtained by formal condensation of the carboxy group of octadecanoic acid with the amino group of hexadecasphingosine-1-phosphocholine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C39H79N2O6P
Net Charge 0
Average Mass 703.030
Monoisotopic Mass 702.56758
InChI InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
InChIKey OQCPQFVKIYWGRP-GWQJGLRPSA-N
SMILES C(CCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Metabolite of Species Details
Papio hamadryas (NCBI:txid9557) See: MetaboLights Study
Roles Classification
Biological Role(s): Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(octadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136273) has functional parent hexadecasphing-4-enine (CHEBI:71052)
N-(octadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136273) has functional parent octadecanoic acid (CHEBI:28842)
N-(octadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136273) has role Papio hamadryas metabolite (CHEBI:137684)
N-(octadecanoyl)hexadecasphingosine-1-phosphocholine (CHEBI:136273) is a sphingomyelin 34:1 (CHEBI:72514)
IUPAC Name
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)hexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
N-(octadecanoyl)hexadecasphing-4-enine-1-phosphocholine ChEBI
SM(d16:1/18:0) ChEBI
sphingomyelin d16:1/18:0 ChEBI
Manual Xref Database
LMSP03010042 LIPID MAPS
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Registry Number Type Source
20856792 Reaxys Registry Number Reaxys
Last Modified
01 November 2017