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CHEBI:140450 - Ac-Glu-Arg-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Lys-NH2

ChEBI IDCHEBI:140450
ChEBI NameAc-Glu-Arg-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Lys-NH2
Stars
ASCII NameAc-Glu-Arg-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Lys-NH2
DefinitionA synthetic 17-mer oligopeptide derived from the Ara h2 protein comprising N-acetyl-L-α-glutamyl, L-arginyl, L-α-aspartyl, L-prolyl, L-tyrosyl, L-seryl, L-prolyl, L-seryl, L--glutaminyl, L-α-aspartyl, L-prolyl, L-tyrosyl, L-seryl, L-prolyl, L-seryl, L-glutaminyl and L-lysinamide residues coupled in sequence.
Last Modified2 January 2025
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC87H128N24O32
Net Charge0
Average Mass2022.117
Monoisotopic Mass2020.91265
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C87H128N24O32/c1-43(116)95-50(25-28-67(121)122)72(129)97-49(10-4-30-94-87(92)93)71(128)102-55(37-68(123)124)83(140)108-31-5-11-61(108)79(136)100-53(35-44-15-19-46(117)20-16-44)75(132)106-60(42-115)86(143)111-34-8-14-64(111)82(139)105-58(40-113)78(135)99-52(24-27-66(90)120)74(131)103-56(38-69(125)126)84(141)109-32-6-12-62(109)80(137)101-54(36-45-17-21-47(118)22-18-45)76(133)107-59(41-114)85(142)110-33-7-13-63(110)81(138)104-57(39-112)77(134)98-51(23-26-65(89)119)73(130)96-48(70(91)127)9-2-3-29-88/h15-22,48-64,112-115,117-118H,2-14,23-42,88H2,1H3,(H2,89,119)(H2,90,120)(H2,91,127)(H,95,116)(H,96,130)(H,97,129)(H,98,134)(H,99,135)(H,100,136)(H,101,137)(H,102,128)(H,103,131)(H,104,138)(H,105,139)(H,106,132)(H,107,133)(H,121,122)(H,123,124)(H,125,126)(H4,92,93,94)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
InChIKeyXASWIRFYRIHRGS-JNTZDIDCSA-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-Glu-Arg-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Asp-Pro-Tyr-Ser-Pro-Ser-Gln-Lys-NH2 (CHEBI:140450) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-acetyl-L-α-glutamyl-L-arginyl-L-α-aspartyl-L-prolyl-L-tyrosyl-L-seryl-L-prolyl-L-seryl-L-glutaminyl-L-α-aspartyl-L-prolyl-L-tyrosyl-L-seryl-L-prolyl-L-seryl-L-glutaminyl-L-lysinamide
Synonyms  Source
Ac-E-R-D-P-Y-S-P-S-Q-D-P-Y-S-P-S-Q-K-NH2IUPAC
Ac-ERDPYSPSQDPYSPSQK-amideChEBI
Ac-ERDPYSPSQDPYSPSQK-NH2ChEBI
Ac-L-α-Glu-L-Arg-L-Asp-L-Pro-L-Tyr-L-Ser-L-Pro-L-Ser-L-Gln-L-Asp-L-Pro-L-Tyr-L-Ser-L-Pro-L-Ser-L-Gln-L-Lys-NH2ChEBI
Ara h2-3ChEBI
Citations