CHEBI:29534 - avermectin B_1a

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ChEBI Name avermectin B1a ChEBI ID CHEBI:29534 ChEBI ASCII Name avermectin B1a Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H72O14 Net Charge 0 Average Mass 873.07690 Monoisotopic Mass 872.49221 InChI InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 InChIKey RRZXIRBKKLTSOM-XPNPUAGNSA-N SMILES CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C Metabolite of Species Details Streptomyces avermitilis (NCBI:txid33903) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via avermectin ) View more via ChEBI Ontology ChEBI Ontology Outgoing avermectin B1a (CHEBI:29534) is a avermectin (CHEBI:50344) Incoming 22,23-dihydroavermectin B1a (CHEBI:63941) has functional parent avermectin B1a (CHEBI:29534) abamectin (CHEBI:39214) has part avermectin B1a (CHEBI:29534) IUPAC Name (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside Synonyms Sources abamectin component B1a ChemIDplus Avermectin B1a KEGG COMPOUND Manual Xrefs Databases 8 BPDB 8 VSDB C11983 KEGG COMPOUND CPD-12963 MetaCyc LMPK04000024 LIPID MAPS View more database links Registry Numbers Types Sources 3645625 Beilstein Registry Number Beilstein 65195-55-3 CAS Registry Number KEGG COMPOUND 65195-55-3 CAS Registry Number ChemIDplus Last Modified 04 August 2014