CHEBI:214693 - Kurstakin 4

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 Kurstakin 4
ChEBI ID CHEBI:214693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H67N11O12
Net Charge 0
Average Mass 906.052
Monoisotopic Mass 905.49707
InChI InChI=1S/C41H67N11O12/c1-23(2)12-10-8-6-5-7-9-11-13-33(56)52-35(25(4)53)40(62)46-21-34(57)47-24(3)36(58)51-29-22-64-41(63)27(15-17-31(43)55)49-37(59)26(14-16-30(42)54)48-38(60)28(50-39(29)61)20-32-44-18-19-45-32/h18-19,23-29,35,53H,5-17,20-22H2,1-4H3,(H2,42,54)(H2,43,55)(H,44,45)(H,46,62)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,56)
InChIKey HDSHTQMHVLVTSB-UHFFFAOYSA-N
SMILES O=C1OCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CCCCCCCCCC(C)C)C(O)C)C)C(=O)NC(CC2=NC=CN2)C(NC(C(NC1CCC(=O)N)=O)CCC(=O)N)=O
Metabolite of Species Details
Bacillus (NCBI:txid1386) 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 Kurstakin 4 (CHEBI:214693) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[1-[[2-[[1-[[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
Manual Xref Database
78444302 ChemSpider
View more database links