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CHEBI:194213 - Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg

ChEBI IDCHEBI:194213
ChEBI NameThr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg
Stars
DefinitionAn oligopeptide comprising of L-threonine, L-proline, L-proline, L-alanine, glycine, L-proline, L-aspartic acid, L-valine, glycine, L-proline, and L-arginine amino acids joined in sequence by peptide linkages. It is isolated from the venoms of three species of New World pit vipers from the subfamily, Crotalinae.
Last Modified18 January 2023
Submittermwilliams
DownloadsMolfile
FormulaC46H74N14O15
Net Charge0
Average Mass1063.181
Monoisotopic Mass1062.54581
SMILESCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChIInChI=1S/C46H74N14O15/c1-23(2)36(42(71)52-22-33(63)57-16-6-11-28(57)40(69)54-26(45(74)75)10-5-15-50-46(48)49)56-38(67)27(20-34(64)65)55-41(70)29-12-7-17-58(29)32(62)21-51-37(66)24(3)53-39(68)30-13-8-18-59(30)43(72)31-14-9-19-60(31)44(73)35(47)25(4)61/h23-31,35-36,61H,5-22,47H2,1-4H3,(H,51,66)(H,52,71)(H,53,68)(H,54,69)(H,55,70)(H,56,67)(H,64,65)(H,74,75)(H4,48,49,50)/t24-,25+,26-,27-,28-,29-,30-,31-,35-,36-/m0/s1
InChIKeyMGUYOORQEGDWEH-WDZUUAOZSA-N
Species of MetaboliteComponentSourceComments
Agkistrodon bilineatus (ncbitaxon:8718) venom (BTO:0001439) PubMed (16277978)
Crotalus viridis viridis (ncbitaxon:8742) venom (BTO:0001439) PubMed (16277978)
Lachesis muta (ncbitaxon:8752) venom (BTO:0001439) PubMed (16277978)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
venom  A toxin used by animals and injected into their victims by a bite or sting.
bradykinin receptor antagonist  An antagonist at the bradykinin receptor.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg (CHEBI:194213) has role animal metabolite (CHEBI:75767)
Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg (CHEBI:194213) has role bradykinin receptor antagonist (CHEBI:68557)
Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg (CHEBI:194213) has role venom (CHEBI:78505)
Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg (CHEBI:194213) is a oligopeptide (CHEBI:25676)
IUPAC Name 
L-threonyl-L-prolyl-L-prolyl-L-alanylglycyl-L-prolyl-L-α-aspartyl-L-valylglycyl-L-prolyl-L-arginine
Synonyms  Source
L-Thr-L-Pro-L-Pro-L-Ala-Gly-L-Pro-L-Asp-L-Val-Gly-L-Pro-L-ArgChEBI
H-Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg-OHChEBI
Thr-Pro-Pro-Ala-Gly-Pro-Asp-Val-Gly-Pro-Arg-OHChEBI
TPPAGPDVGPRChEBI
T-P-P-A-G-P-D-V-G-P-RChEBI
Registry NumbersSources
CAS:873083-34-2ChEBI
Citations