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CHEBI:182477 - (E,2S,3R,4R,5S)-2-Acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid

ChEBI IDCHEBI:182477
ChEBI Name(E,2S,3R,4R,5S)-2-Acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCCCCCC(O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C(=O)O
InChIInChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17?,18-,19-,20+,21+/m0/s1
InChIKeyVKFZVQCKAPPEFZ-LNBSYBDWSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(E,2S,3R,4R,5S)-2-Acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid (CHEBI:182477) is a N-acylphytosphingosine (CHEBI:31998)
IUPAC Name 
(E,2S,3R,4R,5S)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
Manual XrefsDatabases
8246956ChemSpider