EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217573 - Loonamycin B

ChEBI IDCHEBI:217573
ChEBI NameLoonamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34Cl2N4O11
Net Charge0
Average Mass745.569
Monoisotopic Mass744.16011
SMILESCO[C@@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cc(O[C@@H]7C[C@@H](O)[C@@H](N(C)C)CO7)c(O)c(Cl)c6nc5c32)C(=O)NC4=O)O[C@@H]1CO
InChIInChI=1S/C34H34Cl2N4O11/c1-39(2)14-10-49-18(8-15(14)42)50-16-7-12-19-21-22(33(47)38-32(21)46)20-11-5-4-6-13(35)26(11)40(27(20)25(19)37-24(12)23(36)28(16)43)34-30(45)29(44)31(48-3)17(9-41)51-34/h4-7,14-15,17-18,29-31,34,37,41-45H,8-10H2,1-3H3,(H,38,46,47)/t14-,15+,17+,18+,29+,30+,31-,34+/m0/s1
InChIKeyMESNVWVVXFZXAZ-OVUMEKFMSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (32484694)
ChEBI Ontology
Outgoing Relation(s)
Loonamycin B (CHEBI:217573) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
5,21-dichloro-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-19-[(2R,4R,5S)-5-(dimethylamino)-4-hydroxyoxan-2-yl]oxy-20-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione