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CHEBI:202717 - PAX5

ChEBI IDCHEBI:202717
ChEBI NamePAX5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H99N13O9
Net Charge0
Average Mass1050.446
Monoisotopic Mass1049.76887
SMILESCCCCCC/C=C\CCC[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/C52H99N13O9/c1-2-3-4-5-6-7-8-9-10-23-38(66)36-45(67)59-37-46(68)60-40(25-12-18-31-54)48(70)62-44-29-16-22-35-58-47(69)39(24-11-17-30-53)61-49(71)41(26-13-19-32-55)63-50(72)42(27-14-20-33-56)64-51(73)43(65-52(44)74)28-15-21-34-57/h7-8,38-44,66H,2-6,9-37,53-57H2,1H3,(H,58,69)(H,59,67)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,74)/b8-7-/t38-,39+,40+,41-,42-,43+,44-/m1/s1
InChIKeyDZFFFNBFSIGFMU-FFAWSATFSA-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)
PAX5 (CHEBI:202717) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(Z,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-hydroxytetradec-7-enamide
Manual XrefsDatabases
78439643ChemSpider