bafilomycin A1
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http://purl.obolibrary.org/obo/CHEBI_22689
The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.
Term info
Label
bafilomycin A1
Synonyms
- (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
Subsets
3_STAR
IUPAC NAME
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
[
IUPAC
]
charge
0
formula
C35H58O9
has obo namespace
chebi_ontology
id
CHEBI:22689
inchi
InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1
inchikey
XDHNQDDQEHDUTM-JQWOJBOSSA-N
mass
622.82960
monoisotopicmass
622.40808
smiles
CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
Term relations
Subclass of:
- cyclic hemiketal
- macrolide antibiotic
- oxanes
- has role some toxin
- has role some potassium ionophore
- has role some autophagy inhibitor
- has role some EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor
- has role some fungicide
- has role some EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
- has role some apoptosis inducer
- has role some bacterial metabolite