CHEBI:65868 - etnangien

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name etnangien
ChEBI ID CHEBI:65868
Definition A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C49H76O11
Net Charge 0
Average Mass 841.12110
Monoisotopic Mass 840.53876
InChI InChI=1S/C49H76O11/c1-34(22-17-13-11-9-8-10-12-14-19-24-40(50)30-35(2)28-29-46(54)55)31-43(52)37(4)45-32-41(51)25-21-27-42(59-7)26-20-16-15-18-23-36(3)48(57)39(6)49(58)38(5)44(53)33-47(56)60-45/h8-20,22,30-31,36-45,48-53,57-58H,21,23-29,32-33H2,1-7H3,(H,54,55)/b9-8+,12-10+,13-11+,18-15+,19-14+,20-16-,22-17+,34-31+,35-30+/t36-,37+,38+,39-,40-,41+,42+,43+,44+,45-,48+,49-/m0/s1
InChIKey VHPBIOVAVQXSJO-DLGDGFEOSA-N
SMILES [H][C@]1(C[C@H](O)CCC[C@@H](C\C=C/C=C/C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1)OC)[C@H](C)[C@H](O)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C[C@H](O)\C=C(/C)CCC(O)=O
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) of strain So ce750 See: PubMed
Sorangium cellulosum (NCBI:txid56) of strain So ce1045 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing etnangien (CHEBI:65868) has role antibacterial agent (CHEBI:33282)
etnangien (CHEBI:65868) has role metabolite (CHEBI:25212)
etnangien (CHEBI:65868) is a hydroxy monocarboxylic acid (CHEBI:35868)
etnangien (CHEBI:65868) is a macrolide antibiotic (CHEBI:25105)
IUPAC Name
(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]docosa-4,8,10,12,14,16,18-heptaenoic acid
Manual Xrefs Databases
DE19630980 Patent
EP2014655 Patent
EP2247740 Patent
WO2008142046 Patent
View more database links
Registry Number Type Source
18923823 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17547459 PubMed citation Europe PMC
19645468 PubMed citation Europe PMC
22832317 PubMed citation Europe PMC
Last Modified
22 January 2013