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CHEBI:201060 - PAX12

ChEBI IDCHEBI:201060
ChEBI NamePAX12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H107N15O9
Net Charge0
Average Mass1122.557
Monoisotopic Mass1121.83762
SMILESCCCCCCCCCCCCCC[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/C55H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-40(71)38-47(72)64-39-48(73)65-42(31-24-37-63-55(60)61)50(75)67-46-30-18-23-36-62-49(74)41(26-14-19-32-56)66-51(76)43(27-15-20-33-57)68-52(77)44(28-16-21-34-58)69-53(78)45(70-54(46)79)29-17-22-35-59/h40-46,71H,2-39,56-59H2,1H3,(H,62,74)(H,64,72)(H,65,73)(H,66,76)(H,67,75)(H,68,77)(H,69,78)(H,70,79)(H4,60,61,63)/t40-,41+,42+,43-,44-,45+,46-/m1/s1
InChIKeyBUDKJEZKTRMYTO-IGGZARBTSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - 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)
PAX12 (CHEBI:201060) 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-hydroxyheptadecanamide
Manual XrefsDatabases
78439623ChemSpider