EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200420 - Leucanicidin

ChEBI IDCHEBI:200420
ChEBI NameLeucanicidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O13
Net Charge0
Average Mass783.009
Monoisotopic Mass782.48164
SMILESCO/C1=C\C(C)=C\C(C)C(O)C(C)C/C(C)=C/C=C/C(OC)C(C(C)C(O)C(C)C2(O)CC(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3OC)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C42H70O13/c1-21(2)37-26(7)32(53-41-39(51-13)36(46)35(45)29(10)52-41)20-42(48,55-37)28(9)34(44)27(8)38-30(49-11)16-14-15-22(3)17-24(5)33(43)25(6)18-23(4)19-31(50-12)40(47)54-38/h14-16,18-19,21,24-30,32-39,41,43-46,48H,17,20H2,1-13H3/b16-14+,22-15+,23-18+,31-19-/t24?,25?,26?,27?,28?,29-,30?,32?,33?,34?,35-,36+,37?,38?,39+,41-,42?/m0/s1
InChIKeyKFLYTTUTONVURR-ZJFPNZJHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces halstedii (ncbitaxon:1944) - DOI (10.1080/00021369.1984.10866328)
ChEBI Ontology
Outgoing Relation(s)
Leucanicidin (CHEBI:200420) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,11E,13E)-16-[4-[4-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual XrefsDatabases
8638369ChemSpider