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CHEBI:212395 - PAX 4

ChEBI IDCHEBI:212395
ChEBI NamePAX 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H103N15O9
Net Charge0
Average Mass1094.503
Monoisotopic Mass1093.80632
SMILESCC(C)CCCCCCCCCC(O)CC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1CCCCNC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O
InChIInChI=1S/C53H103N15O9/c1-37(2)21-8-6-4-3-5-7-9-22-38(69)35-45(70)62-36-46(71)63-40(28-20-34-61-53(58)59)48(73)65-44-27-14-19-33-60-47(72)39(23-10-15-29-54)64-49(74)41(24-11-16-30-55)66-50(75)42(25-12-17-31-56)67-51(76)43(68-52(44)77)26-13-18-32-57/h37-44,69H,3-36,54-57H2,1-2H3,(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)
InChIKeyMMWFIVHRLTXGRF-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 4 (CHEBI:212395) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[2-[[5-(diaminomethylideneamino)-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]pentan-2-yl]amino]-2-oxoethyl]-3-hydroxy-13-methyltetradecanamide
Manual XrefsDatabases
78444682ChemSpider