EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29528 - Avermectin A2a

ChEBI IDCHEBI:29528
ChEBI NameAvermectin A2a
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC49H76O15
Net Charge0
Average Mass905.132
Monoisotopic Mass904.51842
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](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(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
WURCSWURCS=2.0/2,2,1/[ad211m-1a_1-5_1*OC^SC=^ECCC^ROC^ROC^RC^SC^SC$9/13O/12C/11C^XCC/17C/9CC^SOCC^RC^SC^RC^RC=^XC$25/29C/28OC/27OCC=^ECC=^ECC^S$3/40C/36$26/26O/24=O/22C$7/4C_3*OC][ad211m-1a_1-5_3*OC]/1-2/a4-b1
InChIInChI=1S/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/b14-13+,27-16+,32-15+/t25?,26-,29-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48-,49+/m0/s1
InChIKeyJVGWUGTWQIAGHJ-DFAYUBCLSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A2a (CHEBI:29528) is a oligosaccharide (CHEBI:50699)
Synonym  Source
Avermectin A2aKEGG COMPOUND
Manual XrefsDatabases
C11976KEGG COMPOUND
Registry NumbersSources
CAS:65195-53-1KEGG COMPOUND