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CHEBI:223972 - Streptovirudin D2

ChEBI IDCHEBI:223972
ChEBI NameStreptovirudin D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62N4O16
Net Charge0
Average Mass830.926
Monoisotopic Mass830.41608
SMILESCC[C@@H](C)CCCCCCCC/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/C38H62N4O16/c1-4-19(2)13-11-9-7-5-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12-/t19-,21-,22+,23+,26-,27-,28-,29-,30-,31-,32+,33-,34+,35+,36+,37+/m1/s1
InChIKeyOBNYZYAGPDNNIA-BJFADVBCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (808522)
ChEBI Ontology
Outgoing Relation(s)
Streptovirudin D2 (CHEBI:223972) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(Z,12R)-N-[(2S,3R,4R,5S,6S)-2-[(2S,3R,4R,5S,6S)-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-methyltetradec-2-enamide
Manual XrefsDatabases
78443153ChemSpider