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CHEBI:137928 - cyclo(Leu-Ser-Glu-Thr-Tyr(SO3H)-Thr-Lys-D-Leu)

ChEBI IDCHEBI:137928
ChEBI Namecyclo(Leu-Ser-Glu-Thr-Tyr(SO3H)-Thr-Lys-D-Leu)
Stars
ASCII Namecyclo(Leu-Ser-Glu-Thr-Tyr(SO3H)-Thr-Lys-D-Leu)
DefinitionAn eight-membered homodetic cyclic peptide comprising the sequence L-leucine, L-serine, L-α-glutamic acid, L-threonine, O-sulfo-L-tyrosine, L-threonine, L-lysine, D-leucine.
Last Modified17 July 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC43H69N9O17S
Net Charge0
Average Mass1016.138
Monoisotopic Mass1015.45321
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc2ccc(OS(=O)(=O)O)cc2)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C43H69N9O17S/c1-21(2)17-29-38(60)48-30(18-22(3)4)39(61)50-32(20-53)41(63)45-28(14-15-33(56)57)37(59)51-35(24(6)55)43(65)49-31(19-25-10-12-26(13-11-25)69-70(66,67)68)40(62)52-34(23(5)54)42(64)46-27(36(58)47-29)9-7-8-16-44/h10-13,21-24,27-32,34-35,53-55H,7-9,14-20,44H2,1-6H3,(H,45,63)(H,46,64)(H,47,58)(H,48,60)(H,49,65)(H,50,61)(H,51,59)(H,52,62)(H,56,57)(H,66,67,68)/t23?,24?,27-,28-,29+,30-,31-,32-,34-,35-/m0/s1
InChIKeyAIIXNACKMPLCQK-ICHBRXSLSA-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-Tyr(SO3H)-Thr-Lys-D-Leu) (CHEBI:137928) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
cyclo(-L-α-glutamyl-L-threonyl-O-sulfo-L-tyrosyl-L-threonyl-L-lysyl-D-leucyl-L-leucyl-L-seryl-)
Synonyms  Source
c-(-L-S-E-T-Y(SO3H)-T-K-dL-)JCBN
cyclo(L-leucyl-L-seryl-L-α-glutamyl-L-threonyl-O-sulfo-L-tyrosyl-L-threonyl-L-lysyl-D-leucyl)ChEBI
c-(Leu-Ser-Glu-Thr-Tyr(SO3H)-Thr-Lys-D-Leu)IUPAC
c-(LSETY(SO3H)TKdL)ChEBI
cyclo(L-α-glutamyl-L-threonyl-O-sulfo-L-tyrosyl-L-threonyl-L-lysyl-D-leucyl-L-leucyl-L-seryl)ChEBI
c-(-L-S-E-T-Y(SO3H)-T-K-d-L-)JCBN
Registry NumbersSources
Reaxys:31214079Reaxys
Citations