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CHEBI:223992 - Streptovirudin B2

ChEBI IDCHEBI:223992
ChEBI NameStreptovirudin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58N4O16
Net Charge0
Average Mass802.872
Monoisotopic Mass802.38478
SMILESCC[C@H](C)CCCCCC/C=C/C(=O)N[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H](C[C@@H](O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C36H58N4O16/c1-4-17(2)11-9-7-5-6-8-10-12-22(44)38-25-29(49)26(46)20(53-35(25)56-34-24(37-18(3)42)28(48)27(47)21(16-41)54-34)15-19(43)32-30(50)31(51)33(55-32)40-14-13-23(45)39-36(40)52/h10,12-14,17,19-21,24-35,41,43,46-51H,4-9,11,15-16H2,1-3H3,(H,37,42)(H,38,44)(H,39,45,52)/b12-10+/t17-,19+,20-,21+,24+,25+,26-,27+,28+,29-,30+,31-,32+,33+,34-,35+/m0/s1
InChIKeyLLDGJSBCVXZHFQ-MYTQGMHKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (808522)
ChEBI Ontology
Outgoing Relation(s)
Streptovirudin B2 (CHEBI:223992) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(E,10S)-N-[(2R,3R,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-10-methyldodec-2-enamide
Manual XrefsDatabases
78443157ChemSpider