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CHEBI:213206 - Kurstakin 3

ChEBI IDCHEBI:213206
ChEBI NameKurstakin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H65N11O12
Net Charge0
Average Mass892.025
Monoisotopic Mass891.48142
SMILESCC(C)CCCCCCCCC(=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/c1-22(2)11-9-7-5-6-8-10-12-32(55)51-34(24(4)52)39(61)45-20-33(56)46-23(3)35(57)50-28-21-63-40(62)26(14-16-30(42)54)48-36(58)25(13-15-29(41)53)47-37(59)27(49-38(28)60)19-31-43-17-18-44-31/h17-18,22-28,34,52H,5-16,19-21H2,1-4H3,(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)
InChIKeyMQQKKYOHHVYHGJ-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 3 (CHEBI:213206) 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]-10-methylundecanamide
Manual XrefsDatabases
78444408ChemSpider