CHEBI:208503 - Shengjimycin B2beta

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 Shengjimycin B2beta
ChEBI ID CHEBI:208503
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H82N2O16
Net Charge 0
Average Mass 955.193
Monoisotopic Mass 954.56643
InChI InChI=1S/C49H82N2O16/c1-27(2)47(56)67-46-32(7)61-40(26-49(46,9)57)65-43-31(6)62-48(42(55)41(43)51(12)13)66-44-34(22-23-52)24-28(3)36(64-39-21-20-35(50(10)11)30(5)60-39)19-17-15-16-18-29(4)59-38(54)25-37(45(44)58-14)63-33(8)53/h15-17,19,23,27-32,34-37,39-46,48,55,57H,18,20-22,24-26H2,1-14H3/b16-15-,19-17-
InChIKey KULCFBWWBNGLHQ-RKXLPSGMSA-N
SMILES O=C1OC(CC=CC=CC(OC2OC(C(N(C)C)CC2)C)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)C(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Shengjimycin B2beta (CHEBI:208503) is a aminoglycoside (CHEBI:47779)
IUPAC Name
[6-[6-[[(11Z,13Z)-4-acetyloxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
Manual Xref Database
78444381 ChemSpider
View more database links