CHEBI:200420 - Leucanicidin

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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 Leucanicidin
ChEBI ID CHEBI:200420
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H70O13
Net Charge 0
Average Mass 783.009
Monoisotopic Mass 782.48164
InChI InChI=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
InChIKey KFLYTTUTONVURR-ZJFPNZJHSA-N
SMILES O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3OC)O)C)C(C)C)O)C)C
Metabolite of Species Details
Streptomyces halstedii (NCBI:txid1944) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
8638369 ChemSpider
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