CHEBI:217424 - Nodupetide

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 Nodupetide
ChEBI ID CHEBI:217424
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H49N5O7
Net Charge 0
Average Mass 567.728
Monoisotopic Mass 567.36320
InChI InChI=1S/C28H49N5O7/c1-10-17(8)20-12-21(34)29-13-22(35)32-23(15(4)5)27(38)31-19(11-14(2)3)26(37)30-18(9)25(36)33-24(16(6)7)28(39)40-20/h14-20,23-24H,10-13H2,1-9H3,(H,29,34)(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t17-,18-,19+,20-,23-,24-/m0/s1
InChIKey HWMVMWVGJHANPN-VPGZLLHJSA-N
SMILES O=C1O[C@H]([C@H](CC)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)CC(C)C)=O
Metabolite of Species Details
Nodulisporiumspecies (NCBI:txid1897413) See: DOI
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 Nodupetide (CHEBI:217424) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,19S)-19-[(2S)-butan-2-yl]-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78439901 ChemSpider
View more database links