CHEBI:216511 - Bafilomycin P

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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 P
ChEBI ID CHEBI:216511
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H60O10
Net Charge 0
Average Mass 676.888
Monoisotopic Mass 676.41865
InChI InChI=1S/C38H60O10/c1-20(2)32-26(8)34-35-37(42,18-45-34)19-46-38(35,48-32)27(9)31(40)25(7)33-28(43-10)14-12-13-21(3)15-23(5)30(39)24(6)16-22(4)17-29(44-11)36(41)47-33/h12-14,16-17,20,23-28,30-35,39-40,42H,15,18-19H2,1-11H3/b14-12+,21-13+,22-16+,29-17-/t23-,24+,25-,26+,27-,28-,30-,31+,32-,33+,34-,35+,37-,38+/m0/s1
InChIKey IMLDYMPYWNKTOA-LADIDGKBSA-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)C)[C@H]([C@@H](O)[C@@H]([C@@]23O[C@H]([C@@H](C)[C@H]4[C@@H]2[C@](O)(CO4)CO3)C(C)C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
ChEBI Ontology
Outgoing Bafilomycin P (CHEBI:216511) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3R,4S)-3-hydroxy-4-[(1S,4S,7R,9S,10S,11R)-4-hydroxy-10-methyl-9-propan-2-yl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-7-yl]pentan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual Xref Database
101936363 ChemSpider
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