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CHEBI:138510 - RAFT-PADRE-(sialyl-Tn)4

ChEBI IDCHEBI:138510
ChEBI NameRAFT-PADRE-(sialyl-Tn)4
Stars
ASCII NameRAFT-PADRE-(sialyl-Tn)4
DefinitionA glycosylated homodetic cyclic peptide consisting of a sialyl-Tn cyclopeptide scaffold [sialic acid α-2,6-linked to GalNAc on the lysine residues of a (-Ala-Lys-Pro-Gly-Lys-Lys-Lys-Pro-Gly-Lys-) cyclopeptide] bearing the helper T-cell peptide epitope (PADRE). In the structural diagram, R = PADRE-Cys = H-D-Ala-Lys-Cha-Val-Ala-Ala-Trp-Thr-Leu-Lys-Ala-Ala-D-Ala-Ahx-Cys-CONH2.
Last Modified26 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC138H217N32O67SR
Net Charge0
Average Mass (excl. R groups)3428.445
Monoisotopic Mass (excl. R groups)3426.42775
SMILES*SC[C@H](N)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCn2cc(CO[C@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(CO[C@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCn2cc(CO[C@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(CO[C@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)nn2)NC1=O
ChEBI Ontology
Outgoing Relation(s)
RAFT-PADRE-(sialyl-Tn)4 (CHEBI:138510) has functional parent cyclo(-Ala-Lys-Pro-Gly-Lys-Lys-Lys-Pro-Gly-Lys-) (CHEBI:138504)
RAFT-PADRE-(sialyl-Tn)4 (CHEBI:138510) is a homodetic cyclic peptide (CHEBI:24613)
Citations