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CHEBI:71380 - N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine

Default Structure
ChEBI IDCHEBI:71380
ChEBI NameN-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified7 March 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC39H77NO4
Net Charge0
Average Mass624.048
Monoisotopic Mass623.58526
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C39H77NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-38(43)39(44)40-36(34-41)37(42)32-29-26-23-21-18-19-22-25-28-31-35(2)3/h29,32,35-38,41-43H,4-28,30-31,33-34H2,1-3H3,(H,40,44)/b32-29+/t36-,37+,38?/m0/s1
InChIKeyHAYSYAZWAREGTL-RUOQPURXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71380) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine (CHEBI:71380) 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-hydroxydocosanamide