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CHEBI:137922 - cyclo(Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu)

ChEBI IDCHEBI:137922
ChEBI Namecyclo(Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu)
Stars
ASCII Namecyclo(Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu)
DefinitionAn eight-membered homodetic cyclic peptide comprising the sequence L-leucine, L-serine, L-α-glutamic acid, L-threonine, L-α-glutamic acid, L-threonine, N6-acetyl-L-lysine, D-leucine.
Last Modified17 July 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC41H69N9O16
Net Charge0
Average Mass944.050
Monoisotopic Mass943.48623
SMILESCC(=O)NCCCC[C@@H]1NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C41H69N9O16/c1-19(2)16-27-37(62)47-28(17-20(3)4)38(63)48-29(18-51)39(64)43-25(11-13-30(55)56)35(60)49-33(22(6)53)41(66)45-26(12-14-31(57)58)36(61)50-32(21(5)52)40(65)44-24(34(59)46-27)10-8-9-15-42-23(7)54/h19-22,24-29,32-33,51-53H,8-18H2,1-7H3,(H,42,54)(H,43,64)(H,44,65)(H,45,66)(H,46,59)(H,47,62)(H,48,63)(H,49,60)(H,50,61)(H,55,56)(H,57,58)/t21?,22?,24-,25-,26-,27+,28-,29-,32-,33-/m0/s1
InChIKeyCJGMQRRUZJATAV-RHIMAWBYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
cyclo(Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu) (CHEBI:137922) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
cyclo(-L-α-glutamyl-L-threonyl-L-threonyl-N6-acetyl-L-lysyl-D-leucyl-L-leucyl-L-seryl-)
Synonyms  Source
c-(LSETETK(Ac)dL)ChEBI
cyclo(-Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu-)JCBN
cyclo(-Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-DLeu-)JCBN
c-(Leu-Ser-Glu-Thr-Glu-Thr-Lys(Ac)-D-Leu)ChEBI
cyclo(L-α-glutamyl-L-threonyl-L-α-glutamyl-L-threonyl-N6-acetyl-L-lysyl-D-leucyl-L-leucyl-L-seryl)ChEBI
cyclo(L-leucyl-L-seryl-L-α-glutamyl-L-threonyl-L-α-glutamyl-L-threonyl-N6-acetyl-L-lysyl-D-leucyl)ChEBI
Registry NumbersSources
Reaxys:31214072Reaxys
Citations