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CHEBI:215847 - PAX8

ChEBI IDCHEBI:215847
ChEBI NamePAX8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H109N13O9
Net Charge0
Average Mass1108.570
Monoisotopic Mass1107.84712
SMILESCCCCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O
InChIInChI=1S/C56H109N13O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-42(70)40-49(71)63-41-50(72)64-44(29-16-22-35-58)52(74)66-48-33-20-26-39-62-51(73)43(28-15-21-34-57)65-53(75)45(30-17-23-36-59)67-54(76)46(31-18-24-37-60)68-55(77)47(69-56(48)78)32-19-25-38-61/h42-48,70H,2-41,57-61H2,1H3,(H,62,73)(H,63,71)(H,64,72)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,78)/t42-,43+,44+,45-,46-,47+,48-/m1/s1
InChIKeyXXSUSIVMMVAIAZ-PFDCQGBYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (21423922)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
PAX8 (CHEBI:215847) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R)-N-[2-[[(2S)-6-amino-1-oxo-1-[[(3S,6R,9R,12S,15R)-3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxyoctadecanamide
Manual XrefsDatabases
78439733ChemSpider