CHEBI:81193 - Bluensomycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bluensomycin
ChEBI ID CHEBI:81193
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H39N5O14
Net Charge 0
Average Mass 585.55950
Monoisotopic Mass 585.24935
InChI InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1
InChIKey RQLDKUSQKQMFCN-AEXVNIBOSA-N
SMILES CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(N)=O)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO
ChEBI Ontology
Outgoing Bluensomycin (CHEBI:81193) is a amino sugar (CHEBI:28963)
Manual Xref Database
C17573 KEGG COMPOUND
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Registry Number Type Source
11011-72-6 CAS Registry Number KEGG COMPOUND