CHEBI:134550 - N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine

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ChEBI Name N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine
ChEBI ID CHEBI:134550
ChEBI ASCII Name N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine
Definition A ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H77NO3
Net Charge 0
Average Mass 620.046
Monoisotopic Mass 619.59035
InChI InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,38-39,42-43H,3-7,9,11-32,34,36-37H2,1-2H3,(H,41,44)/b10-8-,35-33+/t38-,39+/m0/s1
InChIKey HILTUFAERVOALR-MQXYEJFFSA-N
SMILES C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO
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.
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ChEBI Ontology
Outgoing N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) has functional parent docosanoic acid (CHEBI:28941)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) has role Papio hamadryas metabolite (CHEBI:137684)
N-docosanoyl-(4E,14Z)-sphinga-4,14-dienine (CHEBI:134550) is a ceramide (CHEBI:17761)
IUPAC Name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]docosanamide
Synonyms Sources
Cer(d18:2/22:0) LIPID MAPS
ceramide (d18:2/22:0) ChEBI
N-(docosanoyl)-4E,14Z-sphingadienine LIPID MAPS
N-behenoyl-(4E,14Z)-sphinga-4,14-dienine ChEBI
Manual Xref Database
LMSP02010029 LIPID MAPS
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Last Modified
06 July 2017