CHEBI:189474 - 2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

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 2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
ChEBI ID CHEBI:189474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38N6O5
Net Charge 0
Average Mass 550.660
Monoisotopic Mass 550.29037
InChI InChI=1S/C29H38N6O5/c1-32(17-21-8-4-3-5-9-21)18-22-19-35(31-30-22)20-26-29(38)28(37)25(40-26)16-27(36)34-14-12-33(13-15-34)23-10-6-7-11-24(23)39-2/h3-11,19,25-26,28-29,37-38H,12-18,20H2,1-2H3/t25-,26+,28-,29+/m0/s1
InChIKey FIWPWRQNNFZGAU-IXGYBEARSA-N
SMILES O1[C@H]([C@H](O)[C@H](O)[C@H]1CN2N=NC(=C2)CN(CC3=CC=CC=C3)C)CC(=O)N4CCN(CC4)C=5C(OC)=CC=CC5
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone (CHEBI:189474) is a piperazines (CHEBI:26144)
IUPAC Name
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Manual Xref Database
21387437 ChemSpider
View more database links