CHEBI:203418 - Kurstakin 1

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 1
ChEBI ID CHEBI:203418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H63N11O12
Net Charge 0
Average Mass 877.998
Monoisotopic Mass 877.46577
InChI InChI=1S/C39H63N11O12/c1-21(2)10-8-6-5-7-9-11-31(54)50-33(23(4)51)38(60)44-19-32(55)45-22(3)34(56)49-27-20-62-39(61)25(13-15-29(41)53)47-35(57)24(12-14-28(40)52)46-36(58)26(48-37(27)59)18-30-42-16-17-43-30/h16-17,21-27,33,51H,5-15,18-20H2,1-4H3,(H2,40,52)(H2,41,53)(H,42,43)(H,44,60)(H,45,55)(H,46,58)(H,47,57)(H,48,59)(H,49,56)(H,50,54)
InChIKey INIRFNMIJAKSGR-UHFFFAOYSA-N
SMILES O=C1OCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CCCCCCCC(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 1 (CHEBI:203418) 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]-9-methyldecanamide
Manual Xref Database
78444044 ChemSpider
View more database links