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CHEBI:217124 - PAX4'

ChEBI IDCHEBI:217124
ChEBI NamePAX4'
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H103N15O9
Net Charge0
Average Mass1094.503
Monoisotopic Mass1093.80632
SMILESCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)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/C53H103N15O9/c1-2-3-4-5-6-7-8-9-10-11-23-38(69)36-45(70)62-37-46(71)63-40(29-22-35-61-53(58)59)48(73)65-44-28-16-21-34-60-47(72)39(24-12-17-30-54)64-49(74)41(25-13-18-31-55)66-50(75)42(26-14-19-32-56)67-51(76)43(68-52(44)77)27-15-20-33-57/h38-44,69H,2-37,54-57H2,1H3,(H,60,72)(H,62,70)(H,63,71)(H,64,74)(H,65,73)(H,66,75)(H,67,76)(H,68,77)(H4,58,59,61)/t38-,39+,40+,41-,42-,43+,44-/m1/s1
InChIKeyZRDROJGEAVQBQZ-LIPBXUNOSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - 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)
PAX4' (CHEBI:217124) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-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]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxypentadecanamide
Manual XrefsDatabases
78439858ChemSpider