N(beta)-acetylstreptothricin F(2+) (CHEBI:141394)

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CHEBI:141394 - N^β-acetylstreptothricin F(2+)

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ChEBI ID	CHEBI:141394
ChEBI Name	N^β-acetylstreptothricin F(2+)
Stars
ASCII Name	N(beta)-acetylstreptothricin F(2+)
Definition	The N^β-acetyl derivative of streptothricin F(3+); major microspecies at pH 7.3.
Submitter	Anne Morgat
Downloads	Molfile

Formula	C21H38N8O9
Net Charge	+2
Average Mass	546.582
Monoisotopic Mass	546.27508
SMILES	[H][C@]12N/C(=[NH+]\[C@@H]3O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]3NC(=O)C[C@H](CCC[NH3+])NC(C)=O)N[C@]1([H])[C@H](O)CNC2=O
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

ChEBI Ontology

Outgoing Relation(s)
	N^β-acetylstreptothricin F(2+) (CHEBI:141394) has functional parent streptothricin F(3+) (CHEBI:60822)
	N^β-acetylstreptothricin F(2+) (CHEBI:141394) is a N-glycosyl compound (CHEBI:21731)
	N^β-acetylstreptothricin F(2+) (CHEBI:141394) is a acetamides (CHEBI:22160)

UniProt Name	Source
N^β-acetylstreptothricin F	UniProt

Manual Xrefs	Databases
CPD-9012	MetaCyc

Citations