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CHEBI:194507 - argipressin(2+)

ChEBI IDCHEBI:194507
ChEBI Nameargipressin(2+)
Stars
DefinitionA peptide cation that is the conjugate acid of argipressin, arising from the protonation of the N-terminal amino group and the guanidino group; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC46H67N15O12S2
Net Charge+2
Average Mass1086.269
Monoisotopic Mass1085.45241
SMILESNC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIInChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/p+2/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKeyKBZOIRJILGZLEJ-LGYYRGKSSA-P
ChEBI Ontology
Outgoing Relation(s)
argipressin(2+) (CHEBI:194507) is a peptide cation (CHEBI:60194)
argipressin(2+) (CHEBI:194507) is conjugate acid of argipressin (CHEBI:34543)
Incoming Relation(s)
argipressin (CHEBI:34543) is conjugate base of argipressin(2+) (CHEBI:194507)
Synonym  Source
8-L-arginine vasopressin(2+)SUBMITTER
UniProt Name  Source
argipressinUniProt
Citations