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CHEBI:60838 - streptothricin F acid (pH 7.3)

ChEBI IDCHEBI:60838
ChEBI Namestreptothricin F acid (pH 7.3)
Stars
DefinitionA primary aliphatic ammonium ion which is obtained from streptothricin F by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group.
Last Modified7 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H39N8O9
Net Charge+3
Average Mass523.568
Monoisotopic Mass523.28235
SMILES[H][C@]1(C(=O)[O-])N/C(=[NH+]/[C@@H]2O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]2NC(=O)C[C@@H]([NH3+])CCC[NH3+])N[C@]1([H])[C@H](O)C[NH3+]
InChIInChI=1S/C19H36N8O9/c20-3-1-2-7(22)4-10(30)24-13-14(31)15(36-18(23)34)9(6-28)35-16(13)27-19-25-11(8(29)5-21)12(26-19)17(32)33/h7-9,11-16,28-29,31H,1-6,20-22H2,(H2,23,34)(H,24,30)(H,32,33)(H2,25,26,27)/p+3/t7-,8+,9+,11+,12-,13+,14-,15-,16+/m0/s1
InChIKeyAJUBASUIRHJEOK-AQLSXGMYSA-Q
ChEBI Ontology
Outgoing Relation(s)
streptothricin F acid (pH 7.3) (CHEBI:60838) is a guanidinium ion (CHEBI:60251)
streptothricin F acid (pH 7.3) (CHEBI:60838) is a monocarboxylic acid anion (CHEBI:35757)
streptothricin F acid (pH 7.3) (CHEBI:60838) is a primary aliphatic ammonium ion (CHEBI:58001)
streptothricin F acid (pH 7.3) (CHEBI:60838) is conjugate acid of streptothricin F acid (CHEBI:60823)
Incoming Relation(s)
streptothricin F acid (CHEBI:60823) is conjugate base of streptothricin F acid (pH 7.3) (CHEBI:60838)
IUPAC Name 
(2E,4S,5S)-5-[(1R)-2-ammonio-1-hydroxyethyl]-2-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-3-{[(3S)-3,6-diammoniohexanoyl]amino}-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}imidazolidine-4-carboxylate
UniProt Name  Source
streptothricin F acidUniProt
Citations