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CHEBI:210710 - PAX 3

ChEBI IDCHEBI:210710
ChEBI NamePAX 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H103N13O9
Net Charge0
Average Mass1066.489
Monoisotopic Mass1065.80017
SMILESCC(C)CCCCCCCCCC(O)CC(=O)NCC(=O)NC(CCCCN)C(=O)NC1CCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C53H103N13O9/c1-38(2)22-8-6-4-3-5-7-9-23-39(67)36-46(68)60-37-47(69)61-41(25-11-17-31-55)49(71)63-45-29-15-21-35-59-48(70)40(24-10-16-30-54)62-50(72)42(26-12-18-32-56)64-51(73)43(27-13-19-33-57)65-52(74)44(66-53(45)75)28-14-20-34-58/h38-45,67H,3-37,54-58H2,1-2H3,(H,59,70)(H,60,68)(H,61,69)(H,62,72)(H,63,71)(H,64,73)(H,65,74)(H,66,75)
InChIKeyVCTKHYFQPAGIHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila F1 (ncbitaxon:1306162) - PubMed (19373275)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
PAX 3 (CHEBI:210710) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[2-[[6-amino-1-oxo-1-[[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-hydroxy-13-methyltetradecanamide
Manual XrefsDatabases
78444698ChemSpider