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CHEBI:67577 - Nbeta-acetylstreptothricin D

ChEBI IDCHEBI:67577
ChEBI NameNbeta-acetylstreptothricin D
Stars
DefinitionA natural product found in Streptomyces sp. I08A 1776.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H60N12O11
Net Charge0
Average Mass800.916
Monoisotopic Mass800.45045
SMILES[H][C@]12N=C(N[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](N)CCCNC(=O)C[C@@H](N)CCCN)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)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,31+/m0/s1
InChIKeyWPMGFKKSCCXUAK-YFZUDYRPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces species I08A 1776 (ncbitaxon:945930) - PubMed (21510638)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Nbeta-acetylstreptothricin D (CHEBI:67577) has role metabolite (CHEBI:25212)
Nbeta-acetylstreptothricin D (CHEBI:67577) is a amino sugar (CHEBI:28963)
Nbeta-acetylstreptothricin D (CHEBI:67577) is conjugate base of Nβ-acetylstreptothricin D(4+) (CHEBI:141396)
Incoming Relation(s)
Nβ-acetylstreptothricin D(4+) (CHEBI:141396) is conjugate acid of Nbeta-acetylstreptothricin D (CHEBI:67577)
Synonyms  Source
2-{[(3S)-3-Acetamido-6-{[(3S)-3-amino-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]p yridin-2-yl]-beta-D-gulopyranosylamineChEBI
AN-201 IIChEBI
Citations