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avermectin B1a (CHEBI:29534)

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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
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C48H72O14 ChEBI
Net Charge 0
Average Mass 873.07690
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 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 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
Database Links Databases
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 ChemIDplus
Last Modified
04 August 2014

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