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CHEBI:214693 - Kurstakin 4

ChEBI IDCHEBI:214693
ChEBI NameKurstakin 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H67N11O12
Net Charge0
Average Mass906.052
Monoisotopic Mass905.49707
SMILESCC(C)CCCCCCCCCC(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC1COC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2nccn2)NC1=O)C(C)O
InChIInChI=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)
InChIKeyHDSHTQMHVLVTSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (11087590)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78444302ChemSpider