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CHEBI:234128 - tetanus toxin (830-844)

ChEBI IDCHEBI:234128
ChEBI Nametetanus toxin (830-844)
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Last Modified19 June 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC80H129N19O23
Net Charge0
Average Mass1725.022
Monoisotopic Mass1723.95087
SMILES[H][C@](N)(CCC(=N)O)/C(O)=N/[C@@]([H])(Cc1ccc(O)cc1)/C(O)=N/[C@]([H])(/C(O)=N/[C@@]([H])(CCCCN)/C(O)=N/[C@@]([H])(C)/C(O)=N/[C@@]([H])(CC(=N)O)/C(O)=N/[C@@]([H])(CO)/C(O)=N/[C@@]([H])(CCCCN)/C(O)=N/[C@@]([H])(Cc1ccccc1)/C(O)=N/[C@]([H])(/C(O)=N/C/C(O)=N/[C@]([H])(/C(O)=N/[C@]([H])(/C(O)=N/[C@@]([H])(CCC(=O)O)/C(O)=N/[C@@]([H])(CC(C)C)C(=O)O)[C@@]([H])(C)O)[C@@]([H])(C)CC)[C@@]([H])(C)CC)[C@@]([H])(C)CC
InChIInChI=1S/C80H129N19O23/c1-11-42(6)63(76(117)86-39-61(105)96-64(43(7)12-2)78(119)99-66(46(10)101)79(120)90-53(30-32-62(106)107)71(112)94-57(80(121)122)35-41(4)5)97-74(115)55(36-47-21-15-14-16-22-47)93-70(111)52(24-18-20-34-82)88-75(116)58(40-100)95-72(113)56(38-60(85)104)91-67(108)45(9)87-69(110)51(23-17-19-33-81)89-77(118)65(44(8)13-3)98-73(114)54(37-48-25-27-49(102)28-26-48)92-68(109)50(83)29-31-59(84)103/h14-16,21-22,25-28,41-46,50-58,63-66,100-102H,11-13,17-20,23-24,29-40,81-83H2,1-10H3,(H2,84,103)(H2,85,104)(H,86,117)(H,87,110)(H,88,116)(H,89,118)(H,90,120)(H,91,108)(H,92,109)(H,93,111)(H,94,112)(H,95,113)(H,96,105)(H,97,115)(H,98,114)(H,99,119)(H,106,107)(H,121,122)/t42-,43-,44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-,66-/m0/s1
InChIKeyOYRVWOGRRQDEQH-HGSTWEHXSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Clostridium tetani (ncbitaxon:1513) - PubMed (33629408)
Roles Classification
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
tetanus toxin (830-844) (CHEBI:234128) has role neurotoxin (CHEBI:50910)
tetanus toxin (830-844) (CHEBI:234128) is a protein (CHEBI:36080)
Synonyms  Source
tetanus toxin-derived peptide TT830-844 CD4+ T-cell epitopeSUBMITTER
H-Gln-Tyr-Ile-Lys-Ala-Asn-Ser-Lys-Phe-Ile-Gly-Ile-Thr-Glu-Leu-OHSUBMITTER
Manual XrefsDatabases
Tetanus_toxinWikipedia
Citations