CHEBI:71970 - proansamycin X

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ChEBI Name proansamycin X
ChEBI ID CHEBI:71970
Definition A 26-membered macrocylic polyketide incorporating a quinone ring as well as lactam and enone functionality. An intermediate in the biosynthesis of rifamycin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:32055
Supplier Information
Download Molfile XML SDF
Formula C35H47NO10
Net Charge 0
Average Mass 641.74840
Monoisotopic Mass 641.32000
InChI InChI=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
InChIKey MHOUUNHTVCQAIF-BTYVTDDSSA-N
SMILES C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)C3=C(C(O)C(C)C(O)=C3C(=O)\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]1O)C2=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
Proansamycin X KEGG COMPOUND
proansamycin X UniProt
Manual Xrefs Databases
C12176 KEGG COMPOUND
CPD-10241 MetaCyc
LMPK05000006 LIPID MAPS
View more database links
Registry Number Type Source
246255-43-6 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10430893 PubMed citation SUBMITTER
16681144 PubMed citation Europe PMC
Last Modified
03 June 2016