CHEBI:206747 - RK-397

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 RK-397
ChEBI ID CHEBI:206747
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H56O10
Net Charge 0
Average Mass 636.823
Monoisotopic Mass 636.38735
InChI InChI=1S/C35H56O10/c1-24(2)35-25(3)15-16-27(37)18-29(39)20-31(41)22-33(43)23-32(42)21-30(40)19-28(38)17-26(36)13-11-9-7-5-4-6-8-10-12-14-34(44)45-35/h4-12,14-16,24-33,35-43H,13,17-23H2,1-3H3/b6-4-,7-5-,10-8-,11-9-,14-12-,16-15-
InChIKey ZYHODWCHANZFES-XVUSWFQASA-N
SMILES O=C1OC(C(C=CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(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 RK-397 (CHEBI:206747) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5Z,7Z,9Z,11Z,29Z)-14,16,18,20,22,24,26,28-octahydroxy-31-methyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
Manual Xref Database
20010052 ChemSpider
View more database links