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CHEBI:223982 - Streptovirudin C2

ChEBI IDCHEBI:223982
ChEBI NameStreptovirudin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60N4O16
Net Charge0
Average Mass816.899
Monoisotopic Mass816.40043
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](O)[C@@H]3O[C@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CCCCCCCCC(C)C)O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+/t20-,21-,22-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34+,35+,36+/m1/s1
InChIKeyYJQCOFNZVFGCAF-DGJPALLNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (808522)
ChEBI Ontology
Outgoing Relation(s)
Streptovirudin C2 (CHEBI:223982) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(E)-N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2S,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltridec-2-enamide
Manual XrefsDatabases
78443155ChemSpider