CHEBI:213206 - Kurstakin 3

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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 3
ChEBI ID CHEBI:213206
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H65N11O12
Net Charge 0
Average Mass 892.025
Monoisotopic Mass 891.48142
InChI InChI=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)
InChIKey MQQKKYOHHVYHGJ-UHFFFAOYSA-N
SMILES O=C1OCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CCCCCCCCC(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 )
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ChEBI Ontology
Outgoing 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 Xref Database
78444408 ChemSpider
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