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CHEBI:231808 - sphingofungin C zwitterion

ChEBI IDCHEBI:231808
ChEBI Namesphingofungin C zwitterion
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCCCCC[C@@H](O)CCCCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
InChIKeyPBKBHDLANIOIKK-RXCFHPIVSA-N
ChEBI Ontology
Outgoing Relation(s)
sphingofungin C zwitterion (CHEBI:231808) is a long-chain fatty acid anion (CHEBI:57560)
sphingofungin C zwitterion (CHEBI:231808) is a α-amino-acid zwitterion (CHEBI:78608)
sphingofungin C zwitterion (CHEBI:231808) is tautomer of Sphingofungin C (CHEBI:216158)
Incoming Relation(s)
Sphingofungin C (CHEBI:216158) is tautomer of sphingofungin C zwitterion (CHEBI:231808)
UniProt Name  Source
sphingofungin CUniProt
Manual XrefsDatabases
CPD-26568MetaCyc
Citations