CHEBI:57697 - deaminohydroxyblasticidin S(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name deaminohydroxyblasticidin S(1+)
ChEBI ID CHEBI:57697
Definition Conjugate acid of deaminohydroxyblasticidin S having an anionic carboxy group and protonated primary amino and guanidino groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H26N7O6
Net Charge +1
Average Mass 424.43160
Monoisotopic Mass 424.19391
InChI InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/p+1/t9?,10-,13+,14-/m0/s1
InChIKey REIIQZAQCCFGIJ-LBLJTAPMSA-O
SMILES CN(CCC([NH3+])CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C([O-])=O)n1ccc(=O)[nH]c1=O)C(N)=[NH2+]
ChEBI Ontology
Outgoing deaminohydroxyblasticidin S(1+) (CHEBI:57697) is a ammonium ion (CHEBI:35274)
deaminohydroxyblasticidin S(1+) (CHEBI:57697) is conjugate acid of deaminohydroxyblasticidin S (CHEBI:16251)
Incoming deaminohydroxyblasticidin S (CHEBI:16251) is conjugate base of deaminohydroxyblasticidin S(1+) (CHEBI:57697)
Synonyms Sources
deaminohydroxyblasticidin S UniProt
deaminohydroxyblasticidin S cation ChEBI
Last Modified
03 April 2015