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CHEBI:231807 - sphingofungin B zwitterion

Default Structure
ChEBI IDCHEBI:231807
ChEBI Namesphingofungin B zwitterion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
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]([NH3+])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
ChEBI Ontology
Outgoing Relation(s)
sphingofungin B zwitterion (CHEBI:231807) is a long-chain fatty acid anion (CHEBI:57560)
sphingofungin B zwitterion (CHEBI:231807) is a α-amino-acid zwitterion (CHEBI:78608)
sphingofungin B zwitterion (CHEBI:231807) is tautomer of Sphingofungin B (CHEBI:185613)
Incoming Relation(s)
Sphingofungin B (CHEBI:185613) is tautomer of sphingofungin B zwitterion (CHEBI:231807)
UniProt Name  Source
sphingofungin BUniProt
Manual XrefsDatabases
CPD-26567MetaCyc
Citations