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CHEBI:142973 - staphyloferrin A(5−)

ChEBI IDCHEBI:142973
ChEBI Namestaphyloferrin A(5−)
Stars
ASCII Namestaphyloferrin A(5-)
DefinitionThe structure is based on pmid:19138128. There is no evidence supporting the stereoconfiguration of the (R)-citryl group on N(2), so if you find evidence supporting it being (S) you are welcome to change the structure.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H19N2O14
Net Charge-5
Average Mass475.339
Monoisotopic Mass475.08637
SMILESO=C([O-])C[C@@](O)(CC(=O)NCCC[C@@H](NC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/p-5/t8-,16+,17-/m1/s1
InChIKeyVJSIXUQLTJCRCS-DFQXCPINSA-I
ChEBI Ontology
Outgoing Relation(s)
staphyloferrin A(5−) (CHEBI:142973) is a organic molecular entity (CHEBI:50860)
staphyloferrin A(5−) (CHEBI:142973) is conjugate base of staphyloferrin A (CHEBI:84711)
Incoming Relation(s)
staphyloferrin A (CHEBI:84711) is conjugate acid of staphyloferrin A(5−) (CHEBI:142973)
UniProt Name  Source
staphyloferrin AUniProt
Citations