CHEBI:60839 - streptothricin D acid (pH 7.3)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name streptothricin D acid (pH 7.3)
ChEBI ID CHEBI:60839
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H65N12O11
Net Charge +5
Average Mass 781.92160
Monoisotopic Mass 781.48683
InChI InChI=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
InChIKey DLWGZGTWTREZQM-UFFKCXTPSA-S
SMILES [H][C@@]1(N\C(N[C@]1([H])C([O-])=O)=[NH+]/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)C[NH3+]
ChEBI Ontology
Outgoing 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 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
Synonym Source
streptothricin D acid UniProt
Citations Waiting for Citations Types Sources
16641084 PubMed citation Europe PMC
19897889 PubMed citation Europe PMC
Last Modified
07 February 2011