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CHEBI:199382 - 16-methyloxazolomycin

ChEBI IDCHEBI:199382
ChEBI Name16-methyloxazolomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H51N3O9
Net Charge0
Average Mass669.816
Monoisotopic Mass669.36253
SMILESCO[C@@H](C[C@@H](C)[C@@H](O)/C=C/C=C/CNC(=O)C(C)(C)[C@H](O)/C(C)=C\C=C/C=C/Cc1cnco1)[C@]1(O)[C@@H](C)C(=O)N(C)[C@]12C(=O)O[C@@H]2C
InChIInChI=1S/C36H51N3O9/c1-23(16-12-9-10-13-17-27-21-37-22-47-27)30(41)34(5,6)32(43)38-19-15-11-14-18-28(40)24(2)20-29(46-8)36(45)25(3)31(42)39(7)35(36)26(4)48-33(35)44/h9-16,18,21-22,24-26,28-30,40-41,45H,17,19-20H2,1-8H3,(H,38,43)/b12-9-,13-10+,15-11+,18-14+,23-16-/t24-,25+,26-,28+,29+,30-,35-,36-/m1/s1
InChIKeyCTNVFWQLXPTQNQ-YTCINQMCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9510916)
ChEBI Ontology
Outgoing Relation(s)
16-methyloxazolomycin (CHEBI:199382) has functional parent α-amino acid (CHEBI:33704)
16-methyloxazolomycin (CHEBI:199382) is a organonitrogen compound (CHEBI:35352)
16-methyloxazolomycin (CHEBI:199382) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
Manual XrefsDatabases
8115269ChemSpider