CHEBI:222283 - BU-4514N

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 BU-4514N
ChEBI ID CHEBI:222283
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42N2O5
Net Charge 0
Average Mass 474.642
Monoisotopic Mass 474.30937
InChI InChI=1S/C27H42N2O5/c1-14-6-7-19-18(10-14)11-15(2)20(12-16(3)33-23-9-8-21(28)17(4)34-23)27(19,5)25(31)24-22(30)13-29-26(24)32/h11,14,16-21,23,31H,6-10,12-13,28H2,1-5H3,(H,29,32)/t14?,16?,17?,18?,19?,20?,21-,23+,27?/m0/s1
InChIKey NKWRHFUPAYVQCE-KURWIIFQSA-N
SMILES O=C1NCC(C1=C(O)C2(C3C(C=C(C2CC(O[C@@H]4OC([C@@H](N)CC4)C)C)C)CC(C)CC3)C)=O
Metabolite of Species Details
Microtetraspora (NCBI:txid1995) See: PubMed
ChEBI Ontology
Outgoing BU-4514N (CHEBI:222283) is a aminoglycoside (CHEBI:47779)
IUPAC Name
3-[[2-[2-[(2R,5S)-5-amino-6-methyloxan-2-yl]oxypropyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
Manual Xref Database
78445217 ChemSpider
View more database links