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CHEBI:58922 - Ile5-angiotensin II (1-7) dizwitterion

ChEBI IDCHEBI:58922
ChEBI NameIle5-angiotensin II (1-7) dizwitterion
Stars
ASCII NameIle(5)-angiotensin II (1-7) dizwitterion
DefinitionDizwitterionic form of Ile5-angiotensin II (1-7) having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated.
Last Modified24 April 2020
DownloadsMolfile
FormulaC41H62N12O11
Net Charge0
Average Mass899.020
Monoisotopic Mass898.46610
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
InChIKeyPVHLMTREZMEJCG-GDTLVBQBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ile5-angiotensin II (1-7) dizwitterion (CHEBI:58922) is a amino-acid zwitterion (CHEBI:35238)
Ile5-angiotensin II (1-7) dizwitterion (CHEBI:58922) is tautomer of Ile5-angiotensin II (1-7) (CHEBI:55438)
Incoming Relation(s)
Ile5-angiotensin II (1-7) (CHEBI:55438) is tautomer of Ile5-angiotensin II (1-7) dizwitterion (CHEBI:58922)
UniProt Name  Source
angiotensin-(1-7)UniProt
Citations