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CHEBI:202609 - PAX6

ChEBI IDCHEBI:202609
ChEBI NamePAX6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H99N15O9
Net Charge0
Average Mass1078.460
Monoisotopic Mass1077.77502
SMILESCCCCCC/C=C\CCC[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/C52H99N15O9/c1-2-3-4-5-6-7-8-9-10-22-37(68)35-44(69)61-36-45(70)62-39(28-21-34-60-52(57)58)47(72)64-43-27-15-20-33-59-46(71)38(23-11-16-29-53)63-48(73)40(24-12-17-30-54)65-49(74)41(25-13-18-31-55)66-50(75)42(67-51(43)76)26-14-19-32-56/h7-8,37-43,68H,2-6,9-36,53-56H2,1H3,(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)/b8-7-/t37-,38+,39+,40-,41-,42+,43-/m1/s1
InChIKeyAYZHFLVNHAQMID-JVYDVMDSSA-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)
PAX6 (CHEBI:202609) 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-hydroxytetradec-7-enamide
Manual XrefsDatabases
78439640ChemSpider