CHEBI:218448 - Lajollamycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lajollamycin A
ChEBI ID CHEBI:218448
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H53N3O10
Net Charge 0
Average Mass 687.831
Monoisotopic Mass 687.37309
InChI InChI=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
InChIKey NSTDWVVCICGULY-OZSWHIPHSA-N
SMILES O=[N+]([O-])\C(=C(\C=C\C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)/C)\C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
34981627 ChemSpider
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