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CHEBI:202070 - PAX 2

ChEBI IDCHEBI:202070
ChEBI NamePAX 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H101N15O9
Net Charge0
Average Mass1080.476
Monoisotopic Mass1079.79067
SMILESCC(C)CCCCCCCCC(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/C52H101N15O9/c1-36(2)20-7-5-3-4-6-8-21-37(68)34-44(69)61-35-45(70)62-39(27-19-33-60-52(57)58)47(72)64-43-26-13-18-32-59-46(71)38(22-9-14-28-53)63-48(73)40(23-10-15-29-54)65-49(74)41(24-11-16-30-55)66-50(75)42(67-51(43)76)25-12-17-31-56/h36-43,68H,3-35,53-56H2,1-2H3,(H,59,71)(H,61,69)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,76)(H4,57,58,60)
InChIKeyCAOURFMFJMPACU-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 2 (CHEBI:202070) 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-12-methyltridecanamide
Manual XrefsDatabases
78444636ChemSpider