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CHEBI:216112 - Lajollamycin B

ChEBI IDCHEBI:216112
ChEBI NameLajollamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H51N3O10
Net Charge0
Average Mass673.804
Monoisotopic Mass673.35744
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@@]12COC2=O
InChIInChI=1S/C35H51N3O10/c1-22(26(5)38(45)46)16-12-10-13-17-23(2)29(40)33(6,7)31(42)36-19-15-11-14-18-27(39)24(3)20-28(47-9)35(44)25(4)30(41)37(8)34(35)21-48-32(34)43/h10-18,24-25,27-29,39-40,44H,19-21H2,1-9H3,(H,36,42)/b13-10+,15-11+,16-12+,18-14+,23-17+,26-22+/t24-,25+,27+,28+,29-,34-,35-/m1/s1
InChIKeyLGWNAGXYTFGNDW-MHFSSDQESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25211234)
ChEBI Ontology
Outgoing Relation(s)
Lajollamycin B (CHEBI:216112) has functional parent α-amino acid (CHEBI:33704)
Lajollamycin B (CHEBI:216112) is a organonitrogen compound (CHEBI:35352)
Lajollamycin B (CHEBI:216112) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4E,6E,8E,10E)-3-hydroxy-N-[(2E,4E,6R,7R,9S)-6-hydroxy-9-[(4S,7R,8S)-8-hydroxy-5,7-dimethyl-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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34981605ChemSpider