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CHEBI:212117 - PAX7

ChEBI IDCHEBI:212117
ChEBI NamePAX7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H105N13O9
Net Charge0
Average Mass1080.516
Monoisotopic Mass1079.81582
SMILESCCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)N[C@@H](CCCCN)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/C54H105N13O9/c1-2-3-4-5-6-7-8-9-10-11-12-25-40(68)38-47(69)61-39-48(70)62-42(27-14-20-33-56)50(72)64-46-31-18-24-37-60-49(71)41(26-13-19-32-55)63-51(73)43(28-15-21-34-57)65-52(74)44(29-16-22-35-58)66-53(75)45(67-54(46)76)30-17-23-36-59/h40-46,68H,2-39,55-59H2,1H3,(H,60,71)(H,61,69)(H,62,70)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,76)/t40-,41+,42+,43-,44-,45+,46-/m1/s1
InChIKeyNJAVUVFOUFXADM-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)
PAX7 (CHEBI:212117) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R)-N-[2-[[(2S)-6-amino-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]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxyhexadecanamide
Manual XrefsDatabases
78439781ChemSpider