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avermectin B1b (CHEBI:29537)

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ChEBI Name avermectin B1b
ChEBI ID CHEBI:29537
ChEBI ASCII Name avermectin B1b
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C47H70O14 KEGG COMPOUND
Net Charge 0
Average Mass 859.05030
InChI
InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
InChIKey
ZFUKERYTFURFGA-PVVXTEPVSA-N
SMILES
[H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O
Metabolite of Species Source
Isolated from Streptomyces avermitilis (NCBI:33903) PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via avermectin )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing avermectin B1b (CHEBI:29537) is a avermectin (CHEBI:50344)
Incoming 22,23-dihydroavermectin B1b (CHEBI:63943) has functional parent avermectin B1b (CHEBI:29537)
abamectin (CHEBI:39214) has part avermectin B1b (CHEBI:29537)
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-17-oxo-6'-(propan-2-yl)-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
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-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 IUPAC
abamectin component B1b ChemIDplus
Avermectin B1b KEGG COMPOUND
Database Links Databases
C11967 KEGG COMPOUND
CPD-12964 MetaCyc
LMPK04000020 LIPID MAPS
View more database links
Registry Numbers Types Sources
65195-56-4 CAS Registry Number KEGG COMPOUND
65195-56-4 CAS Registry Number ChemIDplus
8399072 Beilstein Registry Number Beilstein
Last Modified
29 July 2014

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