CHEBI:219304 - Xefoampeptide A

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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 A
ChEBI ID CHEBI:219304
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H51N3O5
Net Charge 0
Average Mass 509.732
Monoisotopic Mass 509.38287
InChI InChI=1S/C28H51N3O5/c1-8-9-10-11-12-13-21-17-25(32)29-22(14-18(2)3)26(33)30-23(15-19(4)5)27(34)31-24(16-20(6)7)28(35)36-21/h18-24H,8-17H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t21?,22-,23+,24+/m1/s1
InChIKey WNGGOIQLVSSYGX-KCNMBCDYSA-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)CCCCCCC
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 A (CHEBI:219304) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R)-13-heptyl-3,6,9-tris(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone