27-O-demethylrifamycin SV
Go to external page
http://purl.obolibrary.org/obo/CHEBI_34311
A member of the class of rifamycins that is rifamycin SV lacking the O-methyl group at position 27.
Term info
Label
27-O-demethylrifamycin SV
Synonyms
- (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19,23-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Subsets
3_STAR
IUPAC NAME
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19,23-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
[
IUPAC
]
charge
0
formula
C36H45NO12
has obo namespace
chebi_ontology
has related synonym
27-O-Demethyl-rifamycin SV
id
CHEBI:34311
inchi
InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-22-14-24(40)25-26(31(22)44)30(43)20(6)33-27(25)34(45)36(8,49-33)47-13-12-23(39)17(3)32(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-15,17-19,23,28-29,32,39-44H,1-8H3,(H,37,46)/b10-9+,13-12+,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36-/m0/s1
inchikey
OBIXNJCNRZELPA-FFICIXETSA-N
mass
683.74200
monoisotopicmass
683.29418
smiles
C[C@H]1\C=C\C=C(C)/C(=O)Nc2cc(O)c3c4C(=O)[C@](C)(Oc4c(C)c(O)c3c2O)O\C=C\[C@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O
Term relations
Subclass of:
- acetate ester
- polyphenol
- cyclic ketal
- rifamycins
- is conjugate acid of some 27-O-demethylrifamycin SV(1-)
- has role some bacterial metabolite
Related from: