CHEBI:215597 - Concanamycin D

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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 Concanamycin D
ChEBI ID CHEBI:215597
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H72O13
Net Charge 0
Average Mass 809.047
Monoisotopic Mass 808.49729
InChI InChI=1S/C44H72O13/c1-13-15-33-27(6)36(55-37-21-32(45)41(49)31(10)54-37)22-44(51,57-33)30(9)40(48)29(8)42-34(52-11)17-14-16-23(2)18-25(4)38(46)28(7)39(47)26(5)19-24(3)20-35(53-12)43(50)56-42/h13-17,19-20,25-34,36-42,45-49,51H,18,21-22H2,1-12H3/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31?,32?,33-,34+,36-,37?,38+,39-,40-,41?,42-,44-/m1/s1
InChIKey MTLOJNVKXXZIBC-YEKUWCNWSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H](C)[C@@H]([C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)O)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C)[C@@H](C)[C@@H](C2)OC3OC(C(O)C(C3)O)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Concanamycin D (CHEBI:215597) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S,18R)-18-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
Manual Xref Database
78445191 ChemSpider
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