motilin-(1-12) (human)   Click here for help

GtoPdb Ligand ID: 1461

Synonyms: motilin1-12 (human)
Compound class: Peptide
Comment: Synthetic fragment of human motilin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)C(O)C)Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)C
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O
InChI InChI=1S/C71H104N16O18/c1-8-40(6)58(85-66(100)53-22-16-32-87(53)69(103)57(39(4)5)84-60(94)46(72)34-42-17-11-9-12-18-42)67(101)83-52(35-43-19-13-10-14-20-43)65(99)86-59(41(7)88)68(102)82-51(36-44-23-25-45(89)26-24-44)61(95)77-37-55(91)78-47(28-30-56(92)93)62(96)81-50(33-38(2)3)64(98)79-48(27-29-54(73)90)63(97)80-49(70(104)105)21-15-31-76-71(74)75/h9-14,17-20,23-26,38-41,46-53,57-59,88-89H,8,15-16,21-22,27-37,72H2,1-7H3,(H2,73,90)(H,77,95)(H,78,91)(H,79,98)(H,80,97)(H,81,96)(H,82,102)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,92,93)(H,104,105)(H4,74,75,76)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1
InChI Key RMFLNSINIQWBNF-YJSHLDSISA-N
References
1. Feighner SD, Tan CP, McKee KK, Palyha OC, Hreniuk DL, Pong SS, Austin CP, Figueroa D, MacNeil D, Cascieri MA et al.. (1999)
Receptor for motilin identified in the human gastrointestinal system.
Science, 284 (5423): 2184-8. [PMID:10381885]