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CHEBI:199029 - PAX13

ChEBI IDCHEBI:199029
ChEBI NamePAX13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H107N15O9
Net Charge0
Average Mass1134.568
Monoisotopic Mass1133.83762
SMILESCCCCCC/C=C\CCCCCCC[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/C56H107N15O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-41(72)39-48(73)65-40-49(74)66-43(32-25-38-64-56(61)62)51(76)68-47-31-19-24-37-63-50(75)42(27-15-20-33-57)67-52(77)44(28-16-21-34-58)69-53(78)45(29-17-22-35-59)70-54(79)46(71-55(47)80)30-18-23-36-60/h7-8,41-47,72H,2-6,9-40,57-60H2,1H3,(H,63,75)(H,65,73)(H,66,74)(H,67,77)(H,68,76)(H,69,78)(H,70,79)(H,71,80)(H4,61,62,64)/b8-7-/t41-,42+,43+,44-,45-,46+,47-/m1/s1
InChIKeyBSWPZXOZFPBKDQ-VHFBKICUSA-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)
PAX13 (CHEBI:199029) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(Z,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-hydroxyoctadec-11-enamide
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