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CHEBI:187239 - Sphingofungin D

ChEBI IDCHEBI:187239
ChEBI NameSphingofungin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCCCCC[C@@H](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-/m1/s1
InChIKeyVKFZVQCKAPPEFZ-RXCFHPIVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Sphingofungin D (CHEBI:187239) is a N-acylphytosphingosine (CHEBI:31998)
Sphingofungin D (CHEBI:187239) is tautomer of sphingofungin D zwitterion (CHEBI:231811)
Incoming Relation(s)
sphingofungin D zwitterion (CHEBI:231811) is tautomer of Sphingofungin D (CHEBI:187239)
IUPAC Name 
(E,2S,3R,4R,5S,14R)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
Manual XrefsDatabases
24823242ChemSpider
LMSP01080064LIPID MAPS