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CHEBI:218448 - Lajollamycin A

ChEBI IDCHEBI:218448
ChEBI NameLajollamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53N3O10
Net Charge0
Average Mass687.831
Monoisotopic Mass687.37309
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/C(C)=C(\C)[N+](=O)[O-])[C@]1(O)[C@@H](C)C(=O)N(C)[C@]12C(=O)O[C@@H]2C
InChIInChI=1S/C36H53N3O10/c1-22(26(5)39(46)47)17-13-11-14-18-23(2)30(41)34(7,8)32(43)37-20-16-12-15-19-28(40)24(3)21-29(48-10)36(45)25(4)31(42)38(9)35(36)27(6)49-33(35)44/h11-19,24-25,27-30,40-41,45H,20-21H2,1-10H3,(H,37,43)/b14-11-,16-12+,17-13+,19-15+,23-18-,26-22+/t24-,25+,27-,28+,29+,30-,35-,36-/m1/s1
InChIKeyNSTDWVVCICGULY-OZSWHIPHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25211234)
ChEBI Ontology
Outgoing Relation(s)
Lajollamycin A (CHEBI:218448) has functional parent α-amino acid (CHEBI:33704)
Lajollamycin A (CHEBI:218448) is a organonitrogen compound (CHEBI:35352)
Lajollamycin A (CHEBI:218448) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4Z,6Z,8E,10E)-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]-2,2,4,10-tetramethyl-11-nitrododeca-4,6,8,10-tetraenamide
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