CHEBI:202954 - 29-Hydroxybafilomycin 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 29-Hydroxybafilomycin D
ChEBI ID CHEBI:202954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H56O9
Net Charge 0
Average Mass 620.824
Monoisotopic Mass 620.39243
InChI InChI=1S/C35H56O9/c1-20(2)31(38)22(4)14-15-28(37)25(7)33(40)26(8)34-29(42-9)13-11-12-27(19-36)18-24(6)32(39)23(5)16-21(3)17-30(43-10)35(41)44-34/h11-17,20,22-26,29,31-34,36,38-40H,18-19H2,1-10H3/b13-11-,15-14+,21-16-,27-12+,30-17+/t22-,23+,24-,25+,26-,29-,31+,32-,33?,34+/m0/s1
InChIKey FFGYDUDLLJGAOQ-MOZDIPJSSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@H]([C@@H](C=C(C=C1OC)C)C)O)C)CO)[C@H](C(O)[C@@H](C(=O)/C=C/[C@@H]([C@H](O)C(C)C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 29-Hydroxybafilomycin D (CHEBI:202954) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5Z,7R,8R,9S,11E,13Z,15S,16R)-16-[(E,2S,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-11-(hydroxymethyl)-3,15-dimethoxy-5,7,9-trimethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one