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CHEBI:74198 - N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:74198
ChEBI NameN-docosanoyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-docosanoyl-4-hydroxy-15-methylhexadecasphinganine
DefinitionA N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds.
Last Modified9 January 2014
Submitterabridge
DownloadsMolfile
FormulaC39H79NO4
Net Charge0
Average Mass626.064
Monoisotopic Mass625.60091
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C39H79NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-38(43)40-36(34-41)39(44)37(42)32-29-26-23-21-20-22-25-28-31-35(2)3/h35-37,39,41-42,44H,4-34H2,1-3H3,(H,40,43)/t36-,37+,39-/m0/s1
InChIKeyPYYOSYCXGXEOAC-UIJXAYEMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74198) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-docosanoyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74198) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]docosanamide
Synonym  Source
N-docosanoyl-4-hydroxy-15-methylhexadecahydrosphingosineSUBMITTER