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CHEBI:185613 - Sphingofungin B

ChEBI IDCHEBI:185613
ChEBI NameSphingofungin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H39NO6
Net Charge0
Average Mass389.533
Monoisotopic Mass389.27774
SMILESCCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C20H39NO6/c1-2-3-4-9-12-15(22)13-10-7-5-6-8-11-14-16(23)18(24)19(25)17(21)20(26)27/h11,14-19,22-25H,2-10,12-13,21H2,1H3,(H,26,27)/b14-11+/t15-,16+,17+,18-,19-/m1/s1
InChIKeyUAPFYKYEEDCCTL-MXSQXUFFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Aspergillus (ncbitaxon:5052) - DOI (10.1016/s0040-4039(00)74115-3)
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 B (CHEBI:185613) is a long-chain fatty acid (CHEBI:15904)
Sphingofungin B (CHEBI:185613) is tautomer of sphingofungin B zwitterion (CHEBI:231807)
Incoming Relation(s)
sphingofungin B zwitterion (CHEBI:231807) is tautomer of Sphingofungin B (CHEBI:185613)
IUPAC Names 
(E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid
(E,2S,3R,4R,5S)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid
Manual XrefsDatabases
LMSP01080062LIPID MAPS
4943512ChemSpider
8605863ChemSpider
Registry NumbersSources
CAS:121025-45-4ChemIDplus