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CHEBI:206981 - 3',4'-Dideoxy-6'-C-methylbutirosin B

ChEBI IDCHEBI:206981
ChEBI Name3',4'-Dideoxy-6'-C-methylbutirosin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H43N5O10
Net Charge0
Average Mass537.611
Monoisotopic Mass537.30099
SMILESCC(N)C1CCC(N)C(OC2C(N)CC(NC(=O)[C@@H](O)CCN)C(O)C2OC2OC(CO)C(O)C2O)O1
InChIInChI=1S/C22H43N5O10/c1-8(24)13-3-2-9(25)21(34-13)36-18-10(26)6-11(27-20(33)12(29)4-5-23)15(30)19(18)37-22-17(32)16(31)14(7-28)35-22/h8-19,21-22,28-32H,2-7,23-26H2,1H3,(H,27,33)/t8?,9?,10?,11?,12-,13?,14?,15?,16?,17?,18?,19?,21?,22?/m0/s1
InChIKeyXPTQHPYRCFRZPX-VTXDMFHXSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (77269)
ChEBI Ontology
Outgoing Relation(s)
3',4'-Dideoxy-6'-C-methylbutirosin B (CHEBI:206981) is a 2-deoxystreptamine derivative (CHEBI:61800)
IUPAC Name 
(2S)-4-amino-N-[5-amino-4-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
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