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CHEBI:140453 - Ac-Gln-Gln-Glu-Gln-Gln-Phe-Lys-Arg-Glu-Leu-Arg-Asn-Leu-Pro-Gln-Gln-Lys-NH2

ChEBI IDCHEBI:140453
ChEBI NameAc-Gln-Gln-Glu-Gln-Gln-Phe-Lys-Arg-Glu-Leu-Arg-Asn-Leu-Pro-Gln-Gln-Lys-NH2
Stars
ASCII NameAc-Gln-Gln-Glu-Gln-Gln-Phe-Lys-Arg-Glu-Leu-Arg-Asn-Leu-Pro-Gln-Gln-Lys-NH2
DefinitionA synthetic 17-mer oligopeptide derived from the Ara h2 protein comprising N2-acetyl-L-glutaminyl, L-glutaminyl, L-α-glutamyl, L-glutaminyl, L-glutaminyl, L-phenylalanyl, L-lysyl, L-arginyl, L-α-glutamyl, L-leucyl, L-arginyl, L-asparaginyl, L-leucyl, L-prolyl, L-glutaminyl, L-glutaminyl and L-lysinamide residues coupled in sequence.
Last Modified20 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC96H159N33O29
Net Charge0
Average Mass2239.530
Monoisotopic Mass2238.19815
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C96H159N33O29/c1-48(2)44-64(90(154)117-55(21-14-42-112-96(109)110)81(145)127-66(47-75(105)137)92(156)128-67(45-49(3)4)94(158)129-43-15-22-68(129)93(157)124-61(28-36-74(104)136)86(150)119-57(24-32-70(100)132)83(147)114-52(78(106)142)18-9-11-39-97)125-89(153)63(30-38-77(140)141)122-80(144)54(20-13-41-111-95(107)108)115-79(143)53(19-10-12-40-98)116-91(155)65(46-51-16-7-6-8-17-51)126-88(152)60(27-35-73(103)135)121-84(148)59(26-34-72(102)134)120-87(151)62(29-37-76(138)139)123-85(149)58(25-33-71(101)133)118-82(146)56(113-50(5)130)23-31-69(99)131/h6-8,16-17,48-49,52-68H,9-15,18-47,97-98H2,1-5H3,(H2,99,131)(H2,100,132)(H2,101,133)(H2,102,134)(H2,103,135)(H2,104,136)(H2,105,137)(H2,106,142)(H,113,130)(H,114,147)(H,115,143)(H,116,155)(H,117,154)(H,118,146)(H,119,150)(H,120,151)(H,121,148)(H,122,144)(H,123,149)(H,124,157)(H,125,153)(H,126,152)(H,127,145)(H,128,156)(H,138,139)(H,140,141)(H4,107,108,111)(H4,109,110,112)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
InChIKeyDFQWIBUZXHBIMO-RKWCDEMWSA-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)
Ac-Gln-Gln-Glu-Gln-Gln-Phe-Lys-Arg-Glu-Leu-Arg-Asn-Leu-Pro-Gln-Gln-Lys-NH2 (CHEBI:140453) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N2-acetyl-L-glutaminyl-L-glutaminyl-L-α-glutamyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-lysyl-L-arginyl-L-α-glutamyl-L-leucyl-L-arginyl-L-asparaginyl-L-leucyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-lysinamide
Synonyms  Source
Ac-QQEQQFKRELRNLPQQK-NH2ChEBI
Ac-L-Gln-L-Gln-L-α-Glu-L-L-Gln-L-Gln-L-Phe-L-Lys-L-Arg-L-α-Glu-L-Leu-L-Arg-L-Asn-L-Leu-L-Pro-L-Gln-L-Gln-L-Lys-NH2ChEBI
Ac-QQEQQFKRELRNLPQQK-amideChEBI
Ac-Q-Q-E-Q-Q-F-K-R-E-L-R-N-L-P-Q-Q-K-NH2IUPAC
Ar h2-5ChEBI
Citations