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CHEBI:231805 - presphingofungin zwitterion

ChEBI IDCHEBI:231805
ChEBI Namepresphingofungin zwitterion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H37NO4
Net Charge0
Average Mass355.519
Monoisotopic Mass355.27226
SMILESCCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C20H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(22)16-18(23)19(21)20(24)25/h8-9,14-15,17-19,22-23H,2-7,10-13,16,21H2,1H3,(H,24,25)/b9-8+,15-14+/t17-,18-,19-/m0/s1
InChIKeyVDTWYJUHNMNWJB-QSWGLJOXSA-N
ChEBI Ontology
Outgoing Relation(s)
presphingofungin zwitterion (CHEBI:231805) is a long-chain fatty acid anion (CHEBI:57560)
presphingofungin zwitterion (CHEBI:231805) is a α-amino-acid zwitterion (CHEBI:78608)
UniProt Name  Source
presphingofunginUniProt
Manual XrefsDatabases
CPD-26578MetaCyc
Citations