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CHEBI:71997 - rifamycin-undecaketide carboxylic acid

ChEBI IDCHEBI:71997
ChEBI Namerifamycin-undecaketide carboxylic acid
Stars
DefinitionA hydroxy monocarboxylic acid that is an intermediate in the biosynthesis of rifamycin.
Last Modified9 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC35H47NO10
Net Charge0
Average Mass641.758
Monoisotopic Mass641.32000
SMILESC/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C(C)/C=C(\C)C(=O)c1c(O)c(C)cc2c1C(=O)C=C(N)C2=O)C(=O)O
InChIInChI=1S/C35H47NO10/c1-15(10-9-11-16(2)35(45)46)28(38)20(6)32(42)22(8)33(43)21(7)29(39)17(3)12-18(4)30(40)27-26-23(13-19(5)31(27)41)34(44)24(36)14-25(26)37/h9-15,17,20-22,28-29,32-33,38-39,41-43H,36H2,1-8H3,(H,45,46)/b10-9+,16-11+,18-12+/t15-,17?,20+,21+,22+,28-,29-,32+,33+/m0/s1
InChIKeyNXTXEEVRCXWODD-KTFCZHAFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
rifamycin-undecaketide carboxylic acid (CHEBI:71997) has role bacterial metabolite (CHEBI:76969)
rifamycin-undecaketide carboxylic acid (CHEBI:71997) is a hydroxy monocarboxylic acid (CHEBI:35868)
rifamycin-undecaketide carboxylic acid (CHEBI:71997) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
rifamycin-undecaketide carboxylic acid (CHEBI:71997) is a polyketide (CHEBI:26188)
Incoming Relation(s)
rifamycin-undecaketide carboxy group (CHEBI:71996) is substituent group from rifamycin-undecaketide carboxylic acid (CHEBI:71997)
IUPAC Name 
(2E,4E,6S,7S,8R,9R,10R,11R,12R,13S,15E)-17-(6-amino-2,4-dihydroxy-3-methyl-5,8-dioxo-3,4,5,8-tetrahydronaphthalen-1-yl)-7,9,11,13-tetrahydroxy-2,6,8,10,12,14,16-heptamethyl-17-oxoheptadeca-2,4,15-trienoic acid
Citations