CHEBI:84736 - QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2

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ChEBI Name QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2
ChEBI ID CHEBI:84736
ChEBI ASCII Name QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2
Definition A synthetic 28-amino acid polypeptide consisting of glutaminyl, seryl, prolyl, seryl, tyrosyl, prolyl, α-aspartyl, arginyl, α-glutamyl, tyrosyl, seryl, α-aspartyl, α-glutamyl, α-aspartyl, arginyl, glutaminyl, isoleucyl, lysyl, glutaminyl, methionyl, leucyl, histidyl, glutaminyl, α-glutamyl, cysteinyl, prolyl, arginyl and leucinamide residues joined in sequence. A synthetic version of the peptide epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C145H227N45O49S2
Net Charge 0
Average Mass 3448.75600
Monoisotopic Mass 3446.60957
InChI InChI=1S/C145H227N45O49S2/c1-8-71(6)114(139(236)174-78(17-9-10-47-146)117(214)166-82(33-40-105(149)197)122(219)172-88(46-54-241-7)126(223)176-90(56-70(4)5)128(225)178-92(59-74-63-159-68-163-74)130(227)170-83(34-41-106(150)198)121(218)169-87(38-45-110(204)205)125(222)186-100(67-240)142(239)190-53-16-21-101(190)136(233)173-81(20-13-50-162-145(157)158)120(217)175-89(115(152)212)55-69(2)3)187-127(224)84(35-42-107(151)199)167-118(215)79(18-11-48-160-143(153)154)164-131(228)93(60-111(206)207)179-124(221)86(37-44-109(202)203)171-132(229)94(61-112(208)209)180-134(231)97(64-191)183-129(226)91(57-72-24-28-75(194)29-25-72)177-123(220)85(36-43-108(200)201)168-119(216)80(19-12-49-161-144(155)156)165-133(230)95(62-113(210)211)181-137(234)102-22-14-51-188(102)140(237)96(58-73-26-30-76(195)31-27-73)182-135(232)98(65-192)184-138(235)103-23-15-52-189(103)141(238)99(66-193)185-116(213)77(147)32-39-104(148)196/h24-31,63,68-71,77-103,114,191-195,240H,8-23,32-62,64-67,146-147H2,1-7H3,(H2,148,196)(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,212)(H,159,163)(H,164,228)(H,165,230)(H,166,214)(H,167,215)(H,168,216)(H,169,218)(H,170,227)(H,171,229)(H,172,219)(H,173,233)(H,174,236)(H,175,217)(H,176,223)(H,177,220)(H,178,225)(H,179,221)(H,180,231)(H,181,234)(H,182,232)(H,183,226)(H,184,235)(H,185,213)(H,186,222)(H,187,224)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t71?,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,114-/m0/s1
InChIKey DEEQGMWKOXTPGI-LTFYOVSCSA-N
SMILES CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2 (CHEBI:84736) has role epitope (CHEBI:53000)
QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2 (CHEBI:84736) is a peptidyl amide (CHEBI:15722)
QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2 (CHEBI:84736) is a polypeptide (CHEBI:15841)
IUPAC Name
L-glutaminyl-L-seryl-L-prolyl-L-seryl-L-tyrosyl-L-prolyl-L-α-aspartyl-L-arginyl-L-α-glutamyl-L-tyrosyl-L-seryl-L-α-aspartyl-L-α-glutamyl-L-α-aspartyl-L-arginyl-L-glutaminyl-L-isoleucyl-L-lysyl-L-glutaminyl-L-methionyl-L-leucyl-L-histidyl-L-glutaminyl-L-α-glutamyl-L-cysteinyl-L-prolyl-L-arginyl-L-leucinamide
Synonyms Sources
Ara-h2 peptide fragment ChEBI
Glu-Ser-Pro-Ser-Tyr-Pro-Asp-Arg-Glu-Tyr-Ser-Asp-Glu-Asp-Arg-Gln-Ile-Lys-Gln-Met-Leu-His-Gln-Glu-Cys-Pro-Arg-Leu-NH2 IUPAC
H2N-QSPSYPDREYSDEDRQIKQMLHQECPRL-CONH2 ChEBI
Citation Waiting for Citations Type Source
25259443 PubMed citation Europe PMC
Last Modified
10 August 2017