CHEBI:217785 - FR252921

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 FR252921
ChEBI ID CHEBI:217785
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44N2O5
Net Charge 0
Average Mass 500.680
Monoisotopic Mass 500.32502
InChI InChI=1S/C29H44N2O5/c1-4-5-6-7-8-9-12-15-18-23(2)26-21-27(33)31-22-25(32)24(3)29(35)30-20-17-14-11-10-13-16-19-28(34)36-26/h10-16,18-19,24-26,32H,4-9,17,20-22H2,1-3H3,(H,30,35)(H,31,33)/b13-10-,14-11-,15-12+,19-16-,23-18+/t24-,25-,26?/m0/s1
InChIKey BMWFPIGVZGRBAD-VRQYISITSA-N
SMILES O=C1OC(/C(=C/C=C/CCCCCCC)/C)CC(=O)NC[C@H](O)[C@@H](C(=O)NCCC=CC=CC=C1)C
Metabolite of Species Details
Pseudomonas fluorescens (NCBI:txid294) See: DOI
ChEBI Ontology
Outgoing FR252921 (CHEBI:217785) is a macrolide (CHEBI:25106)
IUPAC Name
(7R,8S,13Z,15Z,17Z)-2-[(2E,4E)-dodeca-2,4-dien-2-yl]-7-hydroxy-8-methyl-1-oxa-5,10-diazacyclononadeca-13,15,17-triene-4,9,19-trione
Manual Xref Database
78438142 ChemSpider
View more database links