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CHEBI:136993 - staphyloferrin B(2−)

ChEBI IDCHEBI:136993
ChEBI Namestaphyloferrin B(2−)
Stars
ASCII Namestaphyloferrin B(2-)
DefinitionA tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the amino group of staphyloferrin B; major species at pH 7.3.
Last Modified23 January 2019
SubmitterSteve
DownloadsMolfile
FormulaC16H22N4O11
Net Charge-2
Average Mass446.369
Monoisotopic Mass446.12960
SMILES[NH3+][C@@H](CNC(=O)C[C@@](O)(CC(=O)NCCNC(=O)CCC(=O)C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/p-2/t8-,16-/m0/s1
InChIKeySIAZVTIHOHTZDD-PWJLMRLQSA-L
ChEBI Ontology
Outgoing Relation(s)
staphyloferrin B(2−) (CHEBI:136993) is a tricarboxylic acid dianion (CHEBI:36300)
staphyloferrin B(2−) (CHEBI:136993) is conjugate base of staphyloferrin B (CHEBI:134612)
Incoming Relation(s)
2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971) has functional parent staphyloferrin B(2−) (CHEBI:136993)
staphyloferrin B (CHEBI:134612) is conjugate acid of staphyloferrin B(2−) (CHEBI:136993)
IUPAC Name 
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
UniProt Name  Source
staphyloferrin BUniProt