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CHEBI:192181 - N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol

ChEBI IDCHEBI:192181
ChEBI NameN-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H67NO4
Net Charge0
Average Mass565.924
Monoisotopic Mass565.50701
SMILESCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)/C=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C35H67NO4/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b28-25+,31-27+
InChIKeyZVEQCJWYRWKARO-YUEFSBGFSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol (CHEBI:192181) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
N-[(4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
Manual XrefsDatabases
HMDB0040132HMDB
35014914ChemSpider