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CHEBI:71378 - N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71378
ChEBI NameN-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 21 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H75NO4
Net Charge0
Average Mass610.021
Monoisotopic Mass609.56961
SMILESCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C38H75NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-37(42)38(43)39-35(33-40)36(41)31-28-25-22-20-17-18-21-24-27-30-34(2)3/h28,31,34-37,40-42H,4-27,29-30,32-33H2,1-3H3,(H,39,43)/b31-28+/t35-,36+,37?/m0/s1
InChIKeyMOSGEDXWYQEHCU-UGRYJNRPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71378) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71378) is a N-acyl-15-methylhexadecasphing-4-enine (CHEBI:70846)
IUPAC Name 
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-2-hydroxyhenicosanamide
Synonym  Source
N-(2-hydroxyheneicosanoyl)-15-methylhexadecasphing-4-enineChEBI