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CHEBI:74204 - N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:74204
ChEBI NameN-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine
DefinitionA N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 25 carbons and 0 double bonds.
Last Modified9 January 2014
Submitterabridge
DownloadsMolfile
FormulaC42H85NO4
Net Charge0
Average Mass668.145
Monoisotopic Mass667.64786
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C42H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-41(46)43-39(37-44)42(47)40(45)35-32-29-26-24-23-25-28-31-34-38(2)3/h38-40,42,44-45,47H,4-37H2,1-3H3,(H,43,46)/t39-,40+,42-/m0/s1
InChIKeyMQRJKPCPZDICLU-LFVSMIGWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74204) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-pentacosanoyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:74204) is a N-acyl-15-methylhexadecaphytosphingosine (CHEBI:71234)
IUPAC Name 
N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]pentacosanamide
Synonym  Source
N-pentacosanoyl-4-hydroxy-15-methylhexadecahydrosphingosineSUBMITTER