CHEBI:219329 - Xefoampeptide E

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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 Xefoampeptide E
ChEBI ID CHEBI:219329
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H53N3O5
Net Charge 0
Average Mass 523.759
Monoisotopic Mass 523.39852
InChI InChI=1S/C29H53N3O5/c1-8-9-10-11-12-13-14-22-18-26(33)30-23(15-19(2)3)27(34)31-24(16-20(4)5)28(35)32-25(17-21(6)7)29(36)37-22/h19-25H,8-18H2,1-7H3,(H,30,33)(H,31,34)(H,32,35)/t22?,23-,24+,25+/m1/s1
InChIKey HRCDGHGLLPDRFZ-RLXSEPNVSA-N
SMILES O=C1OC(CC(=O)N[C@H](CC(C)C)C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CCCCCCCC
Metabolite of Species Details
Xenorhabdus (NCBI:txid626) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Xefoampeptide E (CHEBI:219329) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R)-3,6,9-tris(2-methylpropyl)-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone