CHEBI:199923 - Bahamaolide A

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 Bahamaolide A
ChEBI ID CHEBI:199923
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H64O11
Net Charge 0
Average Mass 708.930
Monoisotopic Mass 708.44486
InChI InChI=1S/C39H64O11/c1-27(2)39-28(3)17-18-30(41)20-32(43)22-34(45)24-36(47)26-37(48)25-35(46)23-33(44)21-31(42)19-29(40)15-13-11-9-7-5-4-6-8-10-12-14-16-38(49)50-39/h4-14,16,27-37,39-48H,15,17-26H2,1-3H3/b5-4-,8-6-,9-7-,12-10-,13-11-,16-14-/t28-,29+,30-,31-,32-,33-,34-,35-,36+,37+,39-/m0/s1
InChIKey OLPMWTXTIALTJI-DTAQIAAWSA-N
SMILES O=C1O[C@H]([C@H](CC[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@H](C[C@@H](CC=CC=CC=CC=CC=CC=C1)O)O)C)C(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Bahamaolide A (CHEBI:199923) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5E,7E,9E,11E,13E,16R,18S,20S,22S,24S,26R,28S,30S,32S,35S,36S)-16,18,20,22,24,26,28,30,32-nonahydroxy-35-methyl-36-propan-2-yl-1-oxacyclohexatriaconta-3,5,7,9,11,13-hexaen-2-one
Manual Xref Database
28529403 ChemSpider
View more database links