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CHEBI:169864 - Sphingofungin E

ChEBI IDCHEBI:169864
ChEBI NameSphingofungin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39NO7
Net Charge0
Average Mass417.543
Monoisotopic Mass417.27265
SMILESCCCCCCC(=O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O
InChIInChI=1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+/t17-,18+,19-,21-/m0/s1
InChIKeyUKUPHONHODZPDA-RPQNWQSJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sphingofungin E (CHEBI:169864) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,2S,3R,4R,5S)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
Manual XrefsDatabases
9925133ChemSpider
LMSP01080065LIPID MAPS