CHEBI:4727 - dynorphin A

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ChEBI Name dynorphin A ChEBI ID CHEBI:4727 Stars This entity has been manually annotated by a third party. Secondary ChEBI IDs CHEBI:89643 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C69H116N23O13 Net Charge +1 Average Mass 1475.808 Monoisotopic Mass 1474.91175 InChI InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1 InChIKey ZIHYAUCIMOSJIH-QGLXRRFISA-O SMILES CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC=1C=CC=CC1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC=2C=CC(O)=CC2)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in cerebrospinal fluid (UBERON:0001359). See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing dynorphin A (CHEBI:4727) is a peptide (CHEBI:16670) Synonyms Sources (2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-(2-{2-[(2R)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-[(azaniumylmethanimidoyl)amino]pentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-methylbutyl]hexanamide HMDB Dynorphin KEGG COMPOUND Dynorphin A KEGG COMPOUND Dynorphin A 1-17 HMDB Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-Trp-Asp-Asn-Gln HMDB Manual Xrefs Databases C01574 KEGG COMPOUND dynorphin_A Wikipedia FDB029215 FooDB HMDB0012935 HMDB View more database links Registry Numbers Types Sources 74913-18-1 CAS Registry Number KEGG COMPOUND 80448-90-4 CAS Registry Number ChemIDplus Citation Type Source 1716470 PubMed citation Europe PMC Last Modified 20 April 2020