EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224006 - Streptovirudin A1

ChEBI IDCHEBI:224006
ChEBI NameStreptovirudin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58N4O16
Net Charge0
Average Mass790.861
Monoisotopic Mass790.38478
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/CCCCCCC(C)C)O[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C35H58N4O16/c1-16(2)10-8-6-4-5-7-9-11-21(43)37-24-28(48)25(45)19(52-34(24)55-33-23(36-17(3)41)27(47)26(46)20(15-40)53-33)14-18(42)31-29(49)30(50)32(54-31)39-13-12-22(44)38-35(39)51/h9,11,16,18-20,23-34,40,42,45-50H,4-8,10,12-15H2,1-3H3,(H,36,41)(H,37,43)(H,38,44,51)/b11-9+/t18-,19-,20+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-/m1/s1
InChIKeyVTHFJSPYJODWKX-UMVLXWOSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (808522)
ChEBI Ontology
Outgoing Relation(s)
Streptovirudin A1 (CHEBI:224006) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(E)-N-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2S,3S,4S,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-10-methylundec-2-enamide
Manual XrefsDatabases
78443160ChemSpider