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CHEBI:29537 - avermectin B1b

ChEBI IDCHEBI:29537
ChEBI Nameavermectin B1b
Stars
ASCII Nameavermectin B1b
Last Modified29 July 2014
DownloadsMolfile
FormulaC47H70O14
Net Charge0
Average Mass859.063
Monoisotopic Mass858.47656
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(C=C[C@H](C)[C@@]([H])(C(C)C)O1)O2)[C@]34O
InChIInChI=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
InChIKeyZFUKERYTFURFGA-PVVXTEPVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces avermitilis (ncbitaxon:33903) - PubMed (464561)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
avermectin B1b (CHEBI:29537) is a avermectin (CHEBI:50344)
Incoming Relation(s)
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  Source
Avermectin B1bKEGG COMPOUND
abamectin component B1bChemIDplus
(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-hexopyranosideIUPAC
Manual XrefsDatabases
C11967KEGG COMPOUND
LMPK04000020LIPID MAPS
CPD-12964MetaCyc
Registry NumbersSources
Beilstein:8399072Beilstein
CAS:65195-56-4KEGG COMPOUND
CAS:65195-56-4ChemIDplus