CHEBI:205519 - Lomaiviticin E

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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 Lomaiviticin E
ChEBI ID CHEBI:205519
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C70H86N4O24
Net Charge 0
Average Mass 1367.462
Monoisotopic Mass 1366.56320
InChI InChI=1S/C70H86N4O24/c1-15-69(97-42-24-38(87-11)65(89-13)28(5)93-42)54(63(85)45-31(67(69)95-40-22-36(79)57(73(7)8)26(3)91-40)21-30-44(45)60(82)47-33(76)18-17-32(75)46(47)59(30)81)55-64(86)51-50-52(62(84)49-35(78)20-19-34(77)48(49)61(50)83)56(72-71)53(51)68(96-41-23-37(80)58(74(9)10)27(4)92-41)70(55,16-2)98-43-25-39(88-12)66(90-14)29(6)94-43/h17-21,26-29,36-43,54-55,57-58,65-68,79-85H,15-16,22-25H2,1-14H3/t26-,27-,28-,29-,36-,37-,38-,39-,40+,41+,42-,43-,54-,55-,57-,58-,65-,66-,67+,68+,69-,70-/m0/s1
InChIKey UUFARPZDPLRTPW-YHYZUSIDSA-N
SMILES O=C1C2=C(C(O)=C3C(=[N+]=[N-])C4=C(C3=C2O)C(=O)[C@@H]([C@@](O[C@@H]5O[C@H]([C@H](OC)[C@H](C5)OC)C)(CC)[C@@H]4O[C@H]6O[C@H]([C@H](N(C)C)[C@H](C6)O)C)[C@H]7C(O)=C8C9=C(O)C%10=C(C(=O)C=CC%10=O)C(=C9C=C8[C@H]([C@]7(O[C@@H]%11O[C@H]([C@H](OC)[C@H](C%11)OC)C)CC)O[C@H]%12O[C@H]([C@H](N(C)C)[C@H](C%12)O)C)O)C(=O)C=C1
Metabolite of Species Details
Salinispora (NCBI:txid168694) See: PubMed
ChEBI Ontology
Outgoing Lomaiviticin E (CHEBI:205519) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1R,2S,3R)-11-diazo-2-[(2S,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-3-[(1R,2S,3S)-2-[(2S,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-1-[(2R,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-4,5,10-trihydroxy-6,9-dioxo-1,3-dihydrobenzo[b]luoren-3-yl]-1-[(2R,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5,10-dihydroxy-1,3-dihydrobenzo[b]luorene-4,6,9-trione
Manual Xref Database
78439702 ChemSpider
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