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CHEBI:187562 - (2S,3R,4E,8E)-3-Hydroxy-2-[methyl(stearoyl)amino]-4,8-octadecadien-1-yl hydrogen sulfate

ChEBI IDCHEBI:187562
ChEBI Name(2S,3R,4E,8E)-3-Hydroxy-2-[methyl(stearoyl)amino]-4,8-octadecadien-1-yl hydrogen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H71NO6S
Net Charge0
Average Mass658.043
Monoisotopic Mass657.50021
SMILESCCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](COS(=O)(=O)O)N(C)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H71NO6S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-37(40)38(3)35(34-44-45(41,42)43)36(39)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h22,24,30,32,35-36,39H,4-21,23,25-29,31,33-34H2,1-3H3,(H,41,42,43)/b24-22+,32-30+/t35-,36+/m0/s1
InChIKeyRIMXVCHDYMWUNB-INWNUWMJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4E,8E)-3-Hydroxy-2-[methyl(stearoyl)amino]-4,8-octadecadien-1-yl hydrogen sulfate (CHEBI:187562) is a fatty amide (CHEBI:29348)
IUPAC Name 
[(2S,3R,4E,8E)-3-hydroxy-2-[methyl(octadecanoyl)amino]octadeca-4,8-dienyl] hydrogen sulate
Manual XrefsDatabases
8898327ChemSpider