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CHEBI:76087 - 1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine

ChEBI IDCHEBI:76087
ChEBI Name1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine
Stars
ASCII Name1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine
DefinitionA 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified14 January 2020
Submitterlaimo
DownloadsMolfile
FormulaC42H69NO4
Net Charge0
Average Mass652.017
Monoisotopic Mass651.52266
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](NC(C)=O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C42H69NO4/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-42(46)47-38-40(43-39(3)44)41(45)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,21-22,25,27,31,33-34,36,40-41,45H,4-5,7,9-11,13,15-17,20,23-24,26,28-30,32,35,37-38H2,1-3H3,(H,43,44)/b8-6-,14-12-,19-18-,22-21-,27-25-,33-31-,36-34+/t40-,41+/m0/s1
InChIKeyCBCJAPNRANPOIX-GRUWYVAUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine (CHEBI:76087) has functional parent N-acetylsphingosine (CHEBI:46979)
1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine (CHEBI:76087) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-O-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-N-acetylsphingosine (CHEBI:76087) is a 1-O-acyl-N-acetylsphingosine (CHEBI:84483)
IUPAC Name 
(2S,3R,4E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Synonym  Source
1-22:6(ω-3)-NASSUBMITTER
UniProt Name  Source
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-N-(acetyl)-sphing-4-enineUniProt