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CHEBI:223977 - Streptovirudin D1

ChEBI IDCHEBI:223977
ChEBI NameStreptovirudin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64N4O16
Net Charge0
Average Mass832.942
Monoisotopic Mass832.43173
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/C38H64N4O16/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/h12,14,19,21-23,26-37,43,45,48-53H,4-11,13,15-18H2,1-3H3,(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+/m0/s1
InChIKeyLDJOYEHYNQBOME-IRJITCRSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (808522)
ChEBI Ontology
Outgoing Relation(s)
Streptovirudin D1 (CHEBI:223977) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(E,12S)-N-[(2R,3S,4S,5R,6S)-2-[(2R,3R,4R,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2S,3S,4R,5S)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltetradec-2-enamide
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