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CHEBI:231811 - sphingofungin D zwitterion

ChEBI IDCHEBI:231811
ChEBI Namesphingofungin D zwitterion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H40NO7
Net Charge-1
Average Mass430.562
Monoisotopic Mass430.28103
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)/p-1/b15-12+/t17-,18+,19+,20-,21-/m1/s1
InChIKeyVKFZVQCKAPPEFZ-RXCFHPIVSA-M
ChEBI Ontology
Outgoing Relation(s)
sphingofungin D zwitterion (CHEBI:231811) is a long-chain fatty acid anion (CHEBI:57560)
sphingofungin D zwitterion (CHEBI:231811) is tautomer of Sphingofungin D (CHEBI:187239)
Incoming Relation(s)
Sphingofungin D (CHEBI:187239) is tautomer of sphingofungin D zwitterion (CHEBI:231811)
UniProt Name  Source
sphingofungin DUniProt
Manual XrefsDatabases
CPD-26569MetaCyc
Citations