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CHEBI:71970 - proansamycin X

ChEBI IDCHEBI:71970
ChEBI Nameproansamycin X
Stars
DefinitionA 26-membered macrocylic polyketide incorporating a quinone ring as well as lactam and enone functionality. An intermediate in the biosynthesis of rifamycin.
Secondary ChEBI IDCHEBI:32055
Last Modified3 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC35H47NO10
Net Charge0
Average Mass641.758
Monoisotopic Mass641.32000
SMILESC/C1=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@@H](C)/C=C(/C)C(=O)C2=C(O)C(C)C(O)C3=C2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C35H47NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-21,27-28,30-31,33,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12-/t14-,16-,18+,19+,20+,21?,27-,28-,30+,31+,33?/m0/s1
InChIKeyMHOUUNHTVCQAIF-BTYVTDDSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
proansamycin X (CHEBI:71970) has role metabolite (CHEBI:25212)
proansamycin X (CHEBI:71970) is a p-quinones (CHEBI:25830)
proansamycin X (CHEBI:71970) is a enone (CHEBI:51689)
proansamycin X (CHEBI:71970) is a lactam (CHEBI:24995)
proansamycin X (CHEBI:71970) is a macrocycle (CHEBI:51026)
proansamycin X (CHEBI:71970) is a polyketide (CHEBI:26188)
IUPAC Name 
(6Z,8E,10S,11S,12R,13R,14R,15R,16R,17S,18S,19Z)-11,13,15,17,22,24-hexahydroxy-6,10,12,14,16,18,20,23-octamethyl-11,12,13,14,15,16,17,18,23,24-decahydro-1H-3,25-methano-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone
Synonym  Source
Proansamycin XKEGG COMPOUND
UniProt Name  Source
proansamycin XUniProt
Manual XrefsDatabases
C12176KEGG COMPOUND
CPD-10241MetaCyc
LMPK05000006LIPID MAPS
Registry NumbersSources
CAS:246255-43-6KEGG COMPOUND
Citations