CHEBI:221041 - 12-carbamoylstreptothricin E acid

ChEBI IDCHEBI:221041
ChEBI Name12-carbamoylstreptothricin E acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H48N10O10
Net Charge0
Average Mass648.719
Monoisotopic Mass648.35549
SMILESNCCCC(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/C25H48N10O10/c26-5-1-3-11(28)7-15(37)31-6-2-4-12(29)8-16(38)32-19-21(40)20(39)14(10-44-24(30)43)45-22(19)35-25-33-17(13(36)9-27)18(34-25)23(41)42/h11-14,17-22,36,39-40H,1-10,26-29H2,(H2,30,43)(H,31,37)(H,32,38)(H,41,42)(H2,33,34,35)/t11?,12?,13-,14?,17-,18+,19?,20?,21?,22?/m1/s1
InChIKeyIJXCXYOBBMMKOK-KGWLVGRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces qinlingensis (ncbitaxon:360709) - PubMed (19300469)
ChEBI Ontology
Outgoing Relation(s)
12-carbamoylstreptothricin E acid (CHEBI:221041) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(4S,5S)-2-[[3-[[3-amino-6-(3,6-diaminohexanoylamino)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
78445303ChemSpider