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CHEBI:233430 - tracheal cytotoxin

ChEBI IDCHEBI:233430
ChEBI Nametracheal cytotoxin
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC37H60N8O19
Net Charge0
Average Mass920.924
Monoisotopic Mass920.39747
SMILES[H]C(C)(O[C@]1([H])[C@@]([H])(/N=C(\C)O)[C@]2([H])OC[C@@]([H])(O2)[C@@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])/N=C(\C)O)/C(O)=N/[C@@]([H])(C)/C(O)=N/[C@]([H])(CC/C(O)=N/[C@@]([H])(CCC[C@@]([H])(N)C(=O)O)C(=O)/N=C(\O)[C@@]([H])(C)N)C(=O)O
InChIInChI=1S/C37H60N8O19/c1-13(38)30(52)45-33(55)19(8-6-7-18(39)34(56)57)43-23(49)10-9-20(35(58)59)44-31(53)14(2)40-32(54)15(3)61-29-25(42-17(5)48)36-60-12-22(63-36)28(29)64-37-24(41-16(4)47)27(51)26(50)21(11-46)62-37/h13-15,18-22,24-29,36-37,46,50-51H,6-12,38-39H2,1-5H3,(H,40,54)(H,41,47)(H,42,48)(H,43,49)(H,44,53)(H,56,57)(H,58,59)(H,45,52,55)/t13-,14+,15?,18-,19+,20-,21-,22-,24-,25-,26-,27-,28-,29-,36-,37+/m1/s1
InChIKeyAPUIQTDTBPKWKE-RNPGEKFLSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bordetella pertussis (ncbitaxon:520) - PubMed (8300220)
Roles Classification
Biological Role:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
ChEBI Ontology
Outgoing Relation(s)
tracheal cytotoxin (CHEBI:233430) has role toxin (CHEBI:27026)
tracheal cytotoxin (CHEBI:233430) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2R,6S)-6-[[(4R)-4-[[(2S)-2-[2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-2-aminopropanoyl]amino]-7-oxoheptanoic acid
Manual XrefsDatabases
https://en.wikipedia.org/wiki/Tracheal_cytotoxinWikipedia
Citations