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CHEBI:231813 - sphingofungin C2 zwitterion

ChEBI IDCHEBI:231813
ChEBI Namesphingofungin C2 zwitterion
Stars
ASCII Namesphingofungin C2 zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H39NO6
Net Charge0
Average Mass413.555
Monoisotopic Mass413.27774
SMILESCCCCCCC/C=C/CCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C22H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(29-17(2)24)20(25)21(26)19(23)22(27)28/h9-10,15-16,18-21,25-26H,3-8,11-14,23H2,1-2H3,(H,27,28)/b10-9+,16-15+/t18-,19-,20+,21+/m0/s1
InChIKeyNXDCERWVXSRWKC-DHFYDPDRSA-N
ChEBI Ontology
Outgoing Relation(s)
sphingofungin C2 zwitterion (CHEBI:231813) is a long-chain fatty acid anion (CHEBI:57560)
sphingofungin C2 zwitterion (CHEBI:231813) is a α-amino-acid zwitterion (CHEBI:78608)
UniProt Name  Source
sphingofungin C2UniProt
Citations