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CHEBI:203418 - Kurstakin 1

ChEBI IDCHEBI:203418
ChEBI NameKurstakin 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H63N11O12
Net Charge0
Average Mass877.998
Monoisotopic Mass877.46577
SMILESCC(C)CCCCCCCC(=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/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)
InChIKeyINIRFNMIJAKSGR-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 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 XrefsDatabases
78444044ChemSpider