CHEBI:141394 - Nβ-acetylstreptothricin F(2+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nβ-acetylstreptothricin F(2+)
ChEBI ID CHEBI:141394
ChEBI ASCII Name N(beta)-acetylstreptothricin F(2+)
Definition The Nβ-acetyl derivative of streptothricin F(3+); major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C21H38N8O9
Net Charge +2
Average Mass 546.575
Monoisotopic Mass 546.27508
InChI InChI=1S/C21H36N8O9/c1-8(31)25-9(3-2-4-22)5-12(33)26-15-16(34)17(38-20(23)36)11(7-30)37-19(15)29-21-27-13-10(32)6-24-18(35)14(13)28-21/h9-11,13-17,19,30,32,34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,31)(H,26,33)(H2,27,28,29)/p+2/t9-,10+,11+,13+,14-,15+,16-,17-,19+/m0/s1
InChIKey KNRGVMKMLCZEDK-NNXJIFFLSA-P
SMILES [C@@H]1([C@@H]([C@@H]([C@H]([C@H](O1)CO)OC(N)=O)O)NC(C[C@@H](NC(=O)C)CCC[NH3+])=O)/[NH+]=C/2\N[C@@]3(C(NC[C@H]([C@]3(N2)[H])O)=O)[H]
ChEBI Ontology
Outgoing Nβ-acetylstreptothricin F(2+) (CHEBI:141394) has functional parent streptothricin F(3+) (CHEBI:60822)
Nβ-acetylstreptothricin F(2+) (CHEBI:141394) is a N-glycosyl compound (CHEBI:21731)
Nβ-acetylstreptothricin F(2+) (CHEBI:141394) is a acetamides (CHEBI:22160)
Synonym Source
Nβ-acetylstreptothricin F UniProt
Manual Xref Database
CPD-9012 MetaCyc accession
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Citation Waiting for Citations Type Source
28842538 PubMed citation SUBMITTER