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N-docosanoyl-14-methylhexadecasphingosine

Go to external page http://purl.obolibrary.org/obo/CHEBI_131538

A ceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

N-docosanoyl-14-methylhexadecasphingosine

Synonyms
  • N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]docosanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C39H77NO3

has obo namespace

chebi_ontology

has related synonym

N-docosanoyl-14-methylhexadecasphing-4-enine, Cer (d17:1;3/22:0), Cer 39:1;3

id

CHEBI:131538

inchi

InChI=1S/C39H77NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-22-21-23-26-29-32-36(3)5-2/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t36?,37-,38+/m0/s1

inchikey

WHOQLMXMWKNQQT-RLKRFJBVSA-N

mass

608.035

monoisotopicmass

607.59035

smiles

C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO