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CHEBI:2719 - Ile5-angiotensin II

ChEBI IDCHEBI:2719
ChEBI NameIle5-angiotensin II
Stars
ASCII NameIle(5)-angiotensin II
DefinitionAn angiotensin II that acts on the central nervous system (PDB entry: 1N9V).
Secondary ChEBI IDCHEBI:131170
Last Modified17 April 2023
DownloadsMolfile
FormulaC50H71N13O12
Net Charge0
Average Mass1046.197
Monoisotopic Mass1045.53451
SMILESCC[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)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=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
InChIKeyCZGUSIXMZVURDU-JZXHSEFVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (16672146)
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).
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 Roles:
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.
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:
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 IIChemIDplus
Synonyms  Source
Angiotensin IIKEGG COMPOUND
Asp-Arg-Val-Tyr-Ile-His-Pro-PheJCBN
human angiotensin IIChemIDplus
5-isoleucine-angiotensin IIChemIDplus
5-L-isoleucineangiotensin IIChemIDplus
isoleucine5-angiotensin IIChemIDplus
Manual XrefsDatabases
C02135KEGG COMPOUND
LSM-42772LINCS
HMDB0001035HMDB
Registry NumbersSources
Reaxys:4289487Reaxys
CAS:11128-99-7KEGG COMPOUND
CAS:4474-91-3ChemIDplus
Citations