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CHEBI:131534 - N-henicosanoyl-14-methylhexadecasphingosine

Default Structure
ChEBI IDCHEBI:131534
ChEBI NameN-henicosanoyl-14-methylhexadecasphingosine
Stars
ASCII NameN-henicosanoyl-14-methylhexadecasphingosine
DefinitionA ceramide obtained by formal condensation of the carboxy group of henicosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified30 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC38H75NO3
Net Charge0
Average Mass594.022
Monoisotopic Mass593.57470
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC
InChIInChI=1S/C38H75NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-38(42)39-36(34-40)37(41)32-29-26-23-21-20-22-25-28-31-35(3)5-2/h29,32,35-37,40-41H,4-28,30-31,33-34H2,1-3H3,(H,39,42)/b32-29+/t35?,36-,37+/m0/s1
InChIKeyBAAWUSZMJHOHIC-GKJWFTAISA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23894595)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) has functional parent 14-methylhexadecasphingosine (CHEBI:83988)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) has functional parent henicosanoic acid (CHEBI:39248)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) has role Caenorhabditis elegans metabolite (CHEBI:78804)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) is a Cer(d38:1) (CHEBI:137570)
N-henicosanoyl-14-methylhexadecasphingosine (CHEBI:131534) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]henicosanamide
Synonyms  Source
Cer 38:1;3ChEBI
Cer (d17:1;3/21:0)ChEBI
N-henicosanoyl-14-methylhexadecasphing-4-enineChEBI
Citations