CHEBI:203409 - Shengjimycin B2alpha

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 B2alpha
ChEBI ID CHEBI:203409
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/c1-14-18-38(54)65-47-32(6)61-41(27-49(47,8)57)66-44-31(5)62-48(43(56)42(44)51(11)12)67-45-34(23-24-52)25-28(2)36(64-40-22-21-35(50(9)10)30(4)60-40)20-17-15-16-19-29(3)59-39(55)26-37(46(45)58-13)63-33(7)53/h15-17,20,24,28-32,34-37,40-48,56-57H,14,18-19,21-23,25-27H2,1-13H3/b16-15-,20-17-
InChIKey FJNJQYYEDQVPSJ-WFLLNITGSA-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)CCC)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 B2alpha (CHEBI:203409) 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] butanoate
Manual Xref Database
78444043 ChemSpider
View more database links