CHEBI:147383 - dynorphin A-(1-12)(4+)

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ChEBI Name dynorphin A-(1-12)(4+)
ChEBI ID CHEBI:147383
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C69H118N22O14
Net Charge +4
Average Mass 1479.841
Monoisotopic Mass 1478.91759
InChI InChI=1S/C69H114N22O14/c1-7-41(6)56(64(102)87-49(22-15-31-80-69(76)77)65(103)91-32-16-23-53(91)63(101)86-46(19-11-12-28-70)59(97)89-52(66(104)105)34-40(4)5)90-60(98)48(21-14-30-79-68(74)75)84-58(96)47(20-13-29-78-67(72)73)85-61(99)50(33-39(2)3)88-62(100)51(36-42-17-9-8-10-18-42)83-55(94)38-81-54(93)37-82-57(95)45(71)35-43-24-26-44(92)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,92H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H,81,93)(H,82,95)(H,83,94)(H,84,96)(H,85,99)(H,86,101)(H,87,102)(H,88,100)(H,89,97)(H,90,98)(H,104,105)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/p+4/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1
InChIKey RPMUYLYFDVEEGF-XLWMICEOSA-R
SMILES [O-]C([C@H](CC(C)C)NC([C@H](CCCC[NH3+])NC(=O)[C@H]1N(CCC1)C([C@H](CCCNC(=[NH2+])N)NC([C@H]([C@H](CC)C)NC([C@H](CCCNC(=[NH2+])N)NC([C@H](CCCNC(=[NH2+])N)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC([C@H](CC3=CC=C(C=C3)O)[NH3+])=O)=O)=O)=O)=O)=O)=O)=O)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dynorphin A-(1-12)(4+) (CHEBI:147383) has role human metabolite (CHEBI:77746)
dynorphin A-(1-12)(4+) (CHEBI:147383) is a peptide cation (CHEBI:60194)
Synonyms Sources
dynorphin A-(1-12) UniProt
L-tyrosyl-glycyl-glycyl-L-phenylalanyl-L-leucyl-L-arginyl-L-arginyl-L-isoleucyl-L-arginyl-L-prolyl-L-lysyl-L-leucine SUBMITTER
Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu SUBMITTER
Citation Waiting for Citations Type Source
11815627 PubMed citation SUBMITTER