CHEBI:206893 - Bafilomycin B2

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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 Bafilomycin B2
ChEBI ID CHEBI:206893
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H67NO13
Net Charge 0
Average Mass 830.025
Monoisotopic Mass 829.46124
InChI InChI=1S/C45H67NO13/c1-24(2)42-29(7)36(57-38(50)19-18-37(49)46-39-32(47)16-17-33(39)48)23-45(56-12,59-42)31(9)41(52)30(8)43-34(54-10)15-13-14-25(3)20-27(5)40(51)28(6)21-26(4)22-35(55-11)44(53)58-43/h13-15,18-19,21-22,24,27-31,34,36,40-43,47,51-52H,16-17,20,23H2,1-12H3,(H,46,49)/b15-13+,19-18+,25-14+,26-21+,35-22-
InChIKey PZUWLJPPTRCBLM-IVJZCBLMSA-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)OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)C(C)C)OC)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Bafilomycin B2 (CHEBI:206893) is a macrolide (CHEBI:25106)
IUPAC Name
[2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Manual Xref Database
8548736 ChemSpider
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