Ile(5)-angiotensin II (1-7) (CHEBI:55438)

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CHEBI:55438 - Ile⁵-angiotensin II (1-7)

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ChEBI ID	CHEBI:55438
ChEBI Name	Ile⁵-angiotensin II (1-7)
Stars
ASCII Name	Ile(5)-angiotensin II (1-7)
Definition	An angiotensin compound consisting of the linear heptapeptide sequence L-Asp-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro.
Last Modified	14 July 2010
Submitter	Steve
Downloads	Molfile

Formula	C41H62N12O11
Net Charge	0
Average Mass	899.020
Monoisotopic Mass	898.46610
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)O
InChI	InChI=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
InChIKey	PVHLMTREZMEJCG-GDTLVBQBSA-N

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Application:	vasodilator agent A drug used to cause dilation of the blood vessels.

ChEBI Ontology

Outgoing Relation(s)
	Ile⁵-angiotensin II (1-7) (CHEBI:55438) has role vasodilator agent (CHEBI:35620)
	Ile⁵-angiotensin II (1-7) (CHEBI:55438) is a angiotensin (CHEBI:48433)
	Ile⁵-angiotensin II (1-7) (CHEBI:55438) is tautomer of Ile⁵-angiotensin II (1-7) dizwitterion (CHEBI:58922)
Incoming Relation(s)
	Ile⁵-angiotensin II (1-7) dizwitterion (CHEBI:58922) is tautomer of Ile⁵-angiotensin II (1-7) (CHEBI:55438)

IUPAC Name
L-α-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-proline

Synonyms	Source
8-Des-phe-angiotensin II	ChemIDplus
Angiotensin (1-7)	KEGG COMPOUND
Angiotensin I (1-7)	ChemIDplus
Angiotensin II (1-7)	ChemIDplus
Angiotensin II (1-7) heptapeptide	ChemIDplus

Manual Xrefs	Databases
C15850	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:8753045	Beilstein
CAS:39386-80-6	ChemIDplus
CAS:51833-78-4	ChemIDplus