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CHEBI:60839 - streptothricin D acid (pH 7.3)

ChEBI IDCHEBI:60839
ChEBI Namestreptothricin D acid (pH 7.3)
Stars
DefinitionA primary aliphatic ammonium ion which is obtained from streptothricin D by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group.
Last Modified7 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H65N12O11
Net Charge+5
Average Mass781.934
Monoisotopic Mass781.48683
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+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])N[C@]1([H])[C@H](O)C[NH3+]
InChIInChI=1S/C31H60N12O11/c32-7-1-4-15(34)10-20(46)38-8-2-5-16(35)11-21(47)39-9-3-6-17(36)12-22(48)40-25-26(49)27(54-30(37)52)19(14-44)53-28(25)43-31-41-23(18(45)13-33)24(42-31)29(50)51/h15-19,23-28,44-45,49H,1-14,32-36H2,(H2,37,52)(H,38,46)(H,39,47)(H,40,48)(H,50,51)(H2,41,42,43)/p+5/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,28+/m0/s1
InChIKeyDLWGZGTWTREZQM-UFFKCXTPSA-S
ChEBI Ontology
Outgoing Relation(s)
streptothricin D acid (pH 7.3) (CHEBI:60839) is a guanidinium ion (CHEBI:60251)
streptothricin D acid (pH 7.3) (CHEBI:60839) is a monocarboxylic acid anion (CHEBI:35757)
streptothricin D acid (pH 7.3) (CHEBI:60839) is a primary aliphatic ammonium ion (CHEBI:58001)
streptothricin D acid (pH 7.3) (CHEBI:60839) is conjugate acid of streptothricin D acid (CHEBI:60830)
Incoming Relation(s)
streptothricin D acid (CHEBI:60830) is conjugate base of streptothricin D acid (pH 7.3) (CHEBI:60839)
IUPAC Name 
(2E,4S,5S)-2-{[(2R,3R,4S,5R,6R)-3-{[(3S)-3-ammonio-6-{[(3S)-3-ammonio-6-{[(3S)-3,6-diammoniohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-5-(carbamoyloxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}-5-[(1R)-2-ammonio-1-hydroxyethyl]imidazolidine-4-carboxylate
UniProt Name  Source
streptothricin D acidUniProt
Citations