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CHEBI:66897 - peginesatide(2+)

ChEBI IDCHEBI:66897
ChEBI Namepeginesatide(2+)
Stars
DefinitionA cyclic peptide cation obtained by protonation of the arginine side-chains of peginesatide.
Last Modified21 March 2019
SubmitterSteve
DownloadsMolfile
Formula2(C2H4O)n.C229H346N62O58S6
Net Charge+2
Average Mass5176.171
Monoisotopic Mass5172.48686
SMILES*OCCOC(=O)NCCCC[C@H](NC(=O)OCCO*)C(=O)NCCC(=O)N(CC(=O)NCCCC[C@H](NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(C)=O)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N1)C(N)=O)CC(=O)NCCCC[C@H](NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(C)=O)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N1)C(N)=O
ChEBI Ontology
Outgoing Relation(s)
peginesatide(2+) (CHEBI:66897) is a cyclic peptide cation (CHEBI:60195)
peginesatide(2+) (CHEBI:66897) is conjugate acid of peginesatide (CHEBI:66889)
Incoming Relation(s)
peginesatide acetate (CHEBI:66895) has part peginesatide(2+) (CHEBI:66897)
peginesatide (CHEBI:66889) is conjugate base of peginesatide(2+) (CHEBI:66897)
Synonym  Source
peginesatide dicationChEBI