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CHEBI:220511 - Oxazolepoxidomycin A

ChEBI IDCHEBI:220511
ChEBI NameOxazolepoxidomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49N3O10
Net Charge0
Average Mass671.788
Monoisotopic Mass671.34179
SMILESC/C(=C/C/C=C/C=C/C=C/c1cnco1)C(O)C(C)(C)C(=O)NCC(O)C1OC1C(O)CC(C)C1(O)C(C)(C)C(=O)N(C)C12COC2=O
InChIInChI=1S/C35H49N3O10/c1-21(14-12-10-8-9-11-13-15-23-17-36-20-47-23)28(41)32(3,4)29(42)37-18-25(40)27-26(48-27)24(39)16-22(2)35(45)33(5,6)30(43)38(7)34(35)19-46-31(34)44/h8-11,13-15,17,20,22,24-28,39-41,45H,12,16,18-19H2,1-7H3,(H,37,42)/b10-8+,11-9+,15-13+,21-14-
InChIKeyDNDUEQUHLLVZAM-YRLLUFNESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (30598544)
ChEBI Ontology
Outgoing Relation(s)
Oxazolepoxidomycin A (CHEBI:220511) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(4Z,7E,9E,11E)-3-hydroxy-N-[2-hydroxy-2-[3-[1-hydroxy-3-(8-hydroxy-5,7,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)butyl]oxiran-2-yl]ethyl]-2,2,4-trimethyl-12-(1,3-oxazol-5-yl)dodeca-4,7,9,11-tetraenamide