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CHEBI:169184 - N-(hexadecanoyl)-deoxysphing-4-enine-1-sulfonate

ChEBI IDCHEBI:169184
ChEBI NameN-(hexadecanoyl)-deoxysphing-4-enine-1-sulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H67NO5S
Net Charge0
Average Mass601.979
Monoisotopic Mass601.47400
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b29-27+/t32-,33+/m0/s1
InChIKeySJXHOVSBAHNRQL-TURZORIXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-(hexadecanoyl)-deoxysphing-4-enine-1-sulfonate (CHEBI:169184) is a fatty amide (CHEBI:29348)
IUPAC Name 
(E,2R,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-ene-1-sulonic acid
Manual XrefsDatabases
LMSP00000002LIPID MAPS
24823202ChemSpider