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CHEBI:219646 - KK-1

ChEBI IDCHEBI:219646
ChEBI NameKK-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H89N9O14
Net Charge0
Average Mass1112.377
Monoisotopic Mass1111.65290
SMILESCCC(C)C1C(=O)NCC(=O)N(C)C(C(C)C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)OC(C)C(=O)N2CCCCC2C(=O)N(C)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(=O)O)C(=O)N(C)C(C(C)C)C(=O)N1C
InChIInChI=1S/C56H89N9O14/c1-18-34(10)47-48(69)57-29-41(66)61(13)44(31(4)5)49(70)58-38(27-36-22-24-37(78-17)25-23-36)56(77)79-35(11)51(72)65-26-20-19-21-39(65)52(73)62(14)45(32(6)7)50(71)59-43(30(2)3)54(75)60(12)40(28-42(67)68)53(74)63(15)46(33(8)9)55(76)64(47)16/h22-25,30-35,38-40,43-47H,18-21,26-29H2,1-17H3,(H,57,69)(H,58,70)(H,59,71)(H,67,68)
InChIKeyDIYFOMLSLDLOMV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Curvularia clavata (ncbitaxon:95742) - PubMed (29686660)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
KK-1 (CHEBI:219646) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[15-butan-2-yl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,18,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid