β-neoendorphin   Click here for help

GtoPdb Ligand ID: 1644

Comment: Cleaved from proenkephalin-B
Species: Human, Mouse, Rat
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
InChI InChI=1S/C54H77N13O12/c1-32(2)26-41(65-51(76)42(28-33-10-4-3-5-11-33)62-46(71)31-60-45(70)30-61-47(72)38(56)27-34-15-19-36(68)20-16-34)50(75)64-40(13-8-24-59-54(57)58)48(73)63-39(12-6-7-23-55)49(74)66-43(29-35-17-21-37(69)22-18-35)52(77)67-25-9-14-44(67)53(78)79/h3-5,10-11,15-22,32,38-44,68-69H,6-9,12-14,23-31,55-56H2,1-2H3,(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,64,75)(H,65,76)(H,66,74)(H,78,79)(H4,57,58,59)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
InChI Key RTXIYIQLESPXIV-VLOLPVCOSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
PDYN prodynorphin Human proenkephalin-B ADCA, beta-neoendorphin, dynorphin, leu-enkephalin, leumorphin, PENKB, preproenkephalin B, rimorphin, SCA23, spinocerebellar ataxia 23
Pdyn prodynorphin Mouse proenkephalin-B Dyn
Pdyn prodynorphin Rat proenkephalin-B beta-neoendorphin-dynorphin, preprodynorphin, proenkephalin B, proenkephalin-B
Database Links Click here for help
GtoPdb PubChem SID 135651635
Search Google for chemical match using the InChIKey RTXIYIQLESPXIV-VLOLPVCOSA-N
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Search UniChem for chemical match using the InChIKey RTXIYIQLESPXIV-VLOLPVCOSA-N
Search UniChem for chemicals with the same backbone RTXIYIQLESPXIV
UniProtKB P01213 (Hs), O35417 (Mm), P06300 (Rn)
Wikipedia Beta-Neoendorphin