CHEBI:2719 - Ile5-angiotensin II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ile5-angiotensin II
ChEBI ID CHEBI:2719
ChEBI ASCII Name Ile(5)-angiotensin II
Definition An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:131170
Supplier Information
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Formula C50H71N13O12
Net Charge 0
Average Mass 1046.197
Monoisotopic Mass 1045.53451
InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
InChIKey CZGUSIXMZVURDU-JZXHSEFVSA-N
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)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](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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.
(via peptide hormone )
Application(s): vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
(via angiotensin II )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ile5-angiotensin II (CHEBI:2719) has role human metabolite (CHEBI:77746)
Ile5-angiotensin II (CHEBI:2719) is a angiotensin II (CHEBI:48432)
Ile5-angiotensin II (CHEBI:2719) is tautomer of Ile5-angiotensin II dizwitterion (CHEBI:58506)
Incoming Ile5-angiotensin II dizwitterion (CHEBI:58506) is tautomer of Ile5-angiotensin II (CHEBI:2719)
IUPAC Name
L-α-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine
INN Source
angiotensin II ChemIDplus
Synonyms Sources
5-isoleucine-angiotensin II ChemIDplus
5-L-isoleucineangiotensin II ChemIDplus
Angiotensin KEGG COMPOUND
Angiotensin II KEGG COMPOUND
angiotensin II (human) ChemIDplus
angiotensin II (mouse) ChemIDplus
Angiotonin KEGG COMPOUND
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe JCBN
human angiotensin II ChemIDplus
Hypertensin KEGG COMPOUND
isoleucine5-angiotensin II ChemIDplus
N-(1-(N-(N-(N-(N-(N2-L-α-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine ChemIDplus
Manual Xrefs Databases
C02135 KEGG COMPOUND
HMDB0001035 HMDB
LSM-42772 LINCS
View more database links
Registry Numbers Types Sources
11128-99-7 CAS Registry Number KEGG COMPOUND
4289487 Reaxys Registry Number Reaxys
4474-91-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16672146 PubMed citation Europe PMC
Last Modified
17 April 2023