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CHEBI:137990 - (β-Asp-Arg)n-Asp(1−)

ChEBI IDCHEBI:137990
ChEBI Name(β-Asp-Arg)n-Asp(1−)
Stars
ASCII Name(beta-Asp-Arg)n-Asp(1-)
DefinitionA peptide anion that is the conjugate base of (β-Asp-Arg)n-Asp; major species at pH 7.3.
Last Modified29 September 2017
SubmitterAnne Morgat
DownloadsMolfile
Formula(C10H17N5O4)n.C24H40N11O12
Net Charge-1
Average Mass945.926
Monoisotopic Mass945.41439
SMILESNC(=[NH2+])NCCC[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])NC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C34H58N16O16/c35-14(10-21(51)45-15(28(59)60)4-1-7-42-32(36)37)25(56)48-18(11-22(52)46-16(29(61)62)5-2-8-43-33(38)39)26(57)49-19(27(58)50-20(31(65)66)13-24(54)55)12-23(53)47-17(30(63)64)6-3-9-44-34(40)41/h14-20H,1-13,35H2,(H,45,51)(H,46,52)(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,54,55)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H4,36,37,42)(H4,38,39,43)(H4,40,41,44)/p-1/t14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyXGIYQBSRCUVADZ-RBZZARIASA-M
ChEBI Ontology
Outgoing Relation(s)
(β-Asp-Arg)n-Asp(1−) (CHEBI:137990) is a peptide anion (CHEBI:60334)
UniProt Name  Source
[L-4-(L-arginin-2-N-yl)aspartate]n-L-aspartateUniProt