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CHEBI:231812 - sphingofungin C1 zwitterion

ChEBI IDCHEBI:231812
ChEBI Namesphingofungin C1 zwitterion
Stars
ASCII Namesphingofungin C1 zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H41NO6
Net Charge0
Average Mass415.571
Monoisotopic Mass415.29339
SMILESCCCCCC[C@@H](O)CCCCCC/C=C/[C@@H](C[C@H](O)[C@H]([NH3+])C(=O)[O-])OC(C)=O
InChIInChI=1S/C22H41NO6/c1-3-4-5-10-13-18(25)14-11-8-6-7-9-12-15-19(29-17(2)24)16-20(26)21(23)22(27)28/h12,15,18-21,25-26H,3-11,13-14,16,23H2,1-2H3,(H,27,28)/b15-12+/t18-,19+,20+,21+/m1/s1
InChIKeyLFXYKSNLDLNEAL-PPAGVSFWSA-N
ChEBI Ontology
Outgoing Relation(s)
sphingofungin C1 zwitterion (CHEBI:231812) is a long-chain fatty acid anion (CHEBI:57560)
sphingofungin C1 zwitterion (CHEBI:231812) is a α-amino-acid zwitterion (CHEBI:78608)
UniProt Name  Source
sphingofungin C1UniProt
Citations