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CHEBI:141396 - Nβ-acetylstreptothricin D(4+)

ChEBI IDCHEBI:141396
ChEBI NameNβ-acetylstreptothricin D(4+)
Stars
ASCII NameN(beta)-acetylstreptothricin D(4+)
DefinitionThe Nβ-acetyl derivative of streptothricin D(5+); major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC33H64N12O11
Net Charge+4
Average Mass804.948
Monoisotopic Mass804.47956
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](CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])NC(C)=O)N[C@]1([H])[C@H](O)CNC2=O
InChIInChI=1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/p+4/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,31+/m0/s1
InChIKeyWPMGFKKSCCXUAK-YFZUDYRPSA-R
ChEBI Ontology
Outgoing Relation(s)
Nβ-acetylstreptothricin D(4+) (CHEBI:141396) has functional parent streptothricin D(5+) (CHEBI:60829)
Nβ-acetylstreptothricin D(4+) (CHEBI:141396) is a N-glycosyl compound (CHEBI:21731)
Nβ-acetylstreptothricin D(4+) (CHEBI:141396) is a acetamides (CHEBI:22160)
Nβ-acetylstreptothricin D(4+) (CHEBI:141396) is conjugate acid of Nbeta-acetylstreptothricin D (CHEBI:67577)
Incoming Relation(s)
Nbeta-acetylstreptothricin D (CHEBI:67577) is conjugate base of Nβ-acetylstreptothricin D(4+) (CHEBI:141396)
UniProt Name  Source
Nβ-acetylstreptothricin DUniProt
Citations