CHEBI:202332 - [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
ChEBI ID CHEBI:202332
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H54O9
Net Charge 0
Average Mass 654.841
Monoisotopic Mass 654.37678
InChI InChI=1S/C38H54O9/c1-9-22(4)33-25(7)15-16-37(47-33)19-29-18-28(46-37)14-13-24(6)32(45-35(40)21(2)3)23(5)11-10-12-27-20-43-34-31(39)26(8)17-30(36(41)44-29)38(27,34)42/h9-13,17,21,23,25,28-34,39,42H,14-16,18-20H2,1-8H3/b11-10+,22-9+,24-13+,27-12-/t23-,25-,28+,29-,30?,31+,32?,33+,34+,37+,38+/m0/s1
InChIKey XQJPRIJOJVJRFC-RWBIPHABSA-N
SMILES O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)CC3)O[C@@H](C2)CC=C(C(OC(=O)C(C)C)[C@H](C=CC=C4[C@]5(C1C=C([C@@H](O)[C@H]5OC4)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via milbemycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate (CHEBI:202332) is a milbemycin (CHEBI:50345)
IUPAC Name
[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
Manual Xref Database
4945421 ChemSpider
View more database links