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CHEBI:758179 - setmelanotide acetate

Default Structure
ChEBI IDCHEBI:758179
ChEBI Namesetmelanotide acetate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H4O2.C49H68N18O9S2.C2H4O2
Net Charge0
Average Mass1237.438
Monoisotopic Mass1236.52807
SMILESCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cncn2)NC(=O)[C@@H](C)NC1=O.CC(=O)O.CC(=O)O
InChIInChI=1S/C49H68N18O9S2.2C2H4O2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52;2*1-2(3)4/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57);2*1H3,(H,3,4)/t26-,33+,34+,35-,36+,37+,38+,39+;;/m1../s1
InChIKeyGOOYENKUPOAYOV-KMKYJKQVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
anti-obesity agent  Any substance which is used to reduce or control weight.
ChEBI Ontology
Outgoing Relation(s)
setmelanotide acetate (CHEBI:758179) has role anti-obesity agent (CHEBI:74518)
setmelanotide acetate (CHEBI:758179) is a polypeptide (CHEBI:15841)
Synonyms  Source
RM-493 ACETATEChEMBL
Setmelanotide acetateChEMBL