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CHEBI:206601 - 12-carbamoylstreptothricin D acid

ChEBI IDCHEBI:206601
ChEBI Name12-carbamoylstreptothricin D acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H60N12O11
Net Charge0
Average Mass776.894
Monoisotopic Mass776.45045
SMILESNCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(NC2=N[C@H](C(=O)O)[C@@H]([C@H](O)CN)N2)OC(COC(N)=O)C(O)C1O
InChIInChI=1S/C31H60N12O11/c32-7-1-4-15(34)10-20(45)38-8-2-5-16(35)11-21(46)39-9-3-6-17(36)12-22(47)40-25-27(49)26(48)19(14-53-30(37)52)54-28(25)43-31-41-23(18(44)13-33)24(42-31)29(50)51/h15-19,23-28,44,48-49H,1-14,32-36H2,(H2,37,52)(H,38,45)(H,39,46)(H,40,47)(H,50,51)(H2,41,42,43)/t15?,16?,17?,18-,19?,23-,24+,25?,26?,27?,28?/m1/s1
InChIKeyXWKGHODLELXRJG-SAWARPNVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces qinlingensis (ncbitaxon:360709) - PubMed (19300469)
ChEBI Ontology
Outgoing Relation(s)
12-carbamoylstreptothricin D acid (CHEBI:206601) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(4S,5S)-2-[[3-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-6-(carbamoyloxymethyl)-4,5-dihydroxyoxan-2-yl]amino]-5-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydro-1H-imidazole-4-carboxylic acid
Manual XrefsDatabases
78445158ChemSpider