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CHEBI:216623 - Kurstakin 2

ChEBI IDCHEBI:216623
ChEBI NameKurstakin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H65N11O12
Net Charge0
Average Mass892.025
Monoisotopic Mass891.48142
SMILESCCCCCCCCCCCC(=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/C40H65N11O12/c1-4-5-6-7-8-9-10-11-12-13-32(55)51-34(24(3)52)39(61)45-21-33(56)46-23(2)35(57)50-28-22-63-40(62)26(15-17-30(42)54)48-36(58)25(14-16-29(41)53)47-37(59)27(49-38(28)60)20-31-43-18-19-44-31/h18-19,23-28,34,52H,4-17,20-22H2,1-3H3,(H2,41,53)(H2,42,54)(H,43,44)(H,45,61)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H,50,57)(H,51,55)
InChIKeySFCYUUJKYAAGRT-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 2 (CHEBI:216623) 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]dodecanamide
Manual XrefsDatabases
78444310ChemSpider