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N-docosanoyl-14-methylhexadecasphinganine

Go to external page http://purl.obolibrary.org/obo/CHEBI_131550

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

Term info

Label

N-docosanoyl-14-methylhexadecasphinganine

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

3_STAR

IUPAC NAME
N-[(2S,3R)-1,3-dihydroxy-14-methylhexadecan-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C39H79NO3

has obo namespace

chebi_ontology

has related synonym

Cer (d17:0;3/22:0), Cer 39:0;3

id

CHEBI:131550

inchi

InChI=1S/C39H79NO3/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/h36-38,41-42H,4-35H2,1-3H3,(H,40,43)/t36?,37-,38+/m0/s1

inchikey

PXJCCYYXAUUXRF-GGJINPDOSA-N

mass

610.051

monoisotopicmass

609.60600

smiles

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