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CHEBI:169570 - N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate

ChEBI IDCHEBI:169570
ChEBI NameN-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H65NO5S
Net Charge0
Average Mass599.963
Monoisotopic Mass599.45835
SMILESCCCCCCCCCCCC/C=C/CC(=O)N[C@@H](CS(=O)(=O)O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C34H65NO5S/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/h26-29,32-33,36H,3-25,30-31H2,1-2H3,(H,35,37)(H,38,39,40)/b28-26+,29-27+/t32-,33+/m0/s1
InChIKeyFPTGOQRFJXQGQS-SAWZVONUSA-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-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate (CHEBI:169570) is a fatty amide (CHEBI:29348)
IUPAC Name 
(E,2R,3R)-2-[[(E)-hexadec-3-enoyl]amino]-3-hydroxyoctadec-4-ene-1-sulonic acid
Manual XrefsDatabases
LMSP00000003LIPID MAPS
24823203ChemSpider