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CHEBI:209474 - PAX3'

ChEBI IDCHEBI:209474
ChEBI NamePAX3'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H103N13O9
Net Charge0
Average Mass1066.489
Monoisotopic Mass1065.80017
SMILESCCCCCCCCCCCC[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/C53H103N13O9/c1-2-3-4-5-6-7-8-9-10-11-24-39(67)37-46(68)60-38-47(69)61-41(26-13-19-32-55)49(71)63-45-30-17-23-36-59-48(70)40(25-12-18-31-54)62-50(72)42(27-14-20-33-56)64-51(73)43(28-15-21-34-57)65-52(74)44(66-53(45)75)29-16-22-35-58/h39-45,67H,2-38,54-58H2,1H3,(H,59,70)(H,60,68)(H,61,69)(H,62,72)(H,63,71)(H,64,73)(H,65,74)(H,66,75)/t39-,40+,41+,42-,43-,44+,45-/m1/s1
InChIKeyAHFKCORYUPOJDQ-LYASGPROSA-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)
PAX3' (CHEBI:209474) 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-hydroxypentadecanamide
Manual XrefsDatabases
78439714ChemSpider