CHEBI:29540 - Avermectin B2a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Avermectin B2a
ChEBI ID CHEBI:29540
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C48H74O15
Net Charge 0
Average Mass 891.094
Monoisotopic Mass 890.50277
InChI InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24?,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1
InChIKey CWGATOJEFAKFBK-QJDTYEMPSA-N
SMILES CCC(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@H](O)[C@@H]1C
ChEBI Ontology
Outgoing Avermectin B2a (CHEBI:29540) is a oligosaccharide (CHEBI:50699)
Synonym Source
Avermectin B2a KEGG COMPOUND
Manual Xrefs Databases
C00016540 KNApSAcK
C11975 KEGG COMPOUND
View more database links
Registry Number Type Source
65195-57-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014