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CHEBI:206049 - PAX 1

ChEBI IDCHEBI:206049
ChEBI NamePAX 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H101N13O9
Net Charge0
Average Mass1052.462
Monoisotopic Mass1051.78452
SMILESCC(C)CCCCCCCCC(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/C52H101N13O9/c1-37(2)21-7-5-3-4-6-8-22-38(66)35-45(67)59-36-46(68)60-40(24-10-16-30-54)48(70)62-44-28-14-20-34-58-47(69)39(23-9-15-29-53)61-49(71)41(25-11-17-31-55)63-50(72)42(26-12-18-32-56)64-51(73)43(65-52(44)74)27-13-19-33-57/h37-44,66H,3-36,53-57H2,1-2H3,(H,58,69)(H,59,67)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,74)
InChIKeyCKVWJOLXHYYAKC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - 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 1 (CHEBI:206049) 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-12-methyltridecanamide
Manual XrefsDatabases
78444660ChemSpider