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N-docosanoyl-15-methylhexadecasphing-4-enine

Go to external page http://purl.obolibrary.org/obo/CHEBI_71377

An N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 22 carbons and 0 double bonds.

Term info

Label

N-docosanoyl-15-methylhexadecasphing-4-enine

Synonyms
  • N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]docosanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C39H77NO3

has obo namespace

chebi_ontology

has related synonym

Cer (d17:1;2/22:0), Cer 39:1;2

id

CHEBI:71377

inchi

InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1

inchikey

XMCZTIGIXKXPGG-KNEGYRQWSA-N

mass

608.03360

monoisotopicmass

607.59035

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCC(C)C