Terminology Service for NFDI4Health
staphyloferrin A(5-)
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http://purl.obolibrary.org/obo/CHEBI_142973
The structure is based on pmid:19138128. There is not 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.
Term info
Label
staphyloferrin A(5-)
Subsets
2_STAR
charge
-5
formula
C17H19N2O14
has obo namespace
chebi_ontology
has related synonym
staphyloferrin A
id
CHEBI:142973
inchi
InChI=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
inchikey
VJSIXUQLTJCRCS-DFQXCPINSA-I
mass
475.342
monoisotopicmass
475.08637
smiles
[C@](CC(N[C@@H](C([O-])=O)CCCNC(C[C@](CC([O-])=O)(C(=O)[O-])O)=O)=O)(CC([O-])=O)(O)C([O-])=O
Term relations
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