Terminology Service for NFDI4Health
JSON

staphyloferrin B(2-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136993

A 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.

Term info

Label

staphyloferrin B(2-)

Synonyms
  • 5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
Subsets

3_STAR

IUPAC NAME
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate [ IUPAC ]

charge

-2

formula

C16H22N4O11

has obo namespace

chebi_ontology

has related synonym

staphyloferrin B

id

CHEBI:136993

inchi

InChI=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

inchikey

SIAZVTIHOHTZDD-PWJLMRLQSA-L

mass

446.367

monoisotopicmass

446.12960

smiles

O=C(NCCNC(CCC(C([O-])=O)=O)=O)C[C@](CC(=O)NC[C@@H](C([O-])=O)[NH3+])(C([O-])=O)O