EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77917 - mutalomycin(1−)

ChEBI IDCHEBI:77917
ChEBI Namemutalomycin(1−)
Stars
ASCII Namemutalomycin(1-)
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of mutalomycin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified26 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC41H69O12
Net Charge-1
Average Mass753.991
Monoisotopic Mass753.47945
SMILES[H][C@]1([C@H](C)[C@@]2([H])O[C@@]3(CC[C@@](C)([C@@]4([H])CC[C@@](C)([C@]5([H])O[C@@]([H])([C@@]6([H])O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@H](C)C(=O)[O-])[C@H](C)[C@@H](OC)[C@H]1C
InChIInChI=1S/C41H70O12/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44)/p-1/t20-,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35+,37-,38-,39-,40+,41+/m0/s1
InChIKeyWWEDNBWYGGJQOV-RIWLGXEFSA-M
ChEBI Ontology
Outgoing Relation(s)
mutalomycin(1−) (CHEBI:77917) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
mutalomycin(1−) (CHEBI:77917) is conjugate base of mutalomycin (CHEBI:77918)
Incoming Relation(s)
mutalomycin sodium salt (CHEBI:77912) has part mutalomycin(1−) (CHEBI:77917)
mutalomycin (CHEBI:77918) is conjugate acid of mutalomycin(1−) (CHEBI:77917)
IUPAC Name 
(5S)-1-C-[(1S)-1-carboxylatoethyl]-2,4-dideoxy-5-{(1S)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}-2,4-dimethyl-3-O-methyl-β-L-arabinopyranose
Synonym  Source
mutalomycin anionChEBI