angiotensin I   Click here for help

GtoPdb Ligand ID: 583

Synonyms: ang I
Compound class: Endogenous peptide in human, mouse or rat
Comment: As is the case with many peptide molecules, there is some ambiguity surrounding the stereochemistry of angiotensin I, therefore the chemical structure shown here may differ slightly from that shown on other resources.
Species: Human, Mouse, Rat
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: angiotensin

2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)C(C(C(=O)C)CC(C)C)N)Cc1cnc[nH]1)Cc1ccccc1)Cc1cnc[nH]1)NC(=O)C(c1ccc(cc1)O)NCC(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C
Isomeric SMILES CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)C(C(C(=O)C)CC(C)C)N)Cc1cnc[nH]1)Cc1ccccc1)Cc1cnc[nH]1)NC(=O)C(c1ccc(cc1)O)NCC(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C
InChI InChI=1S/C63H93N17O12/c1-8-36(6)53(79-61(91)54(39-18-20-42(82)21-19-39)71-31-49(35(4)5)78-57(87)45(16-12-22-70-63(66)67)74-56(86)44(64)28-51(83)84)60(90)77-48(27-41-30-69-33-73-41)62(92)80-23-13-17-50(80)59(89)76-47(25-38-14-10-9-11-15-38)58(88)75-46(26-40-29-68-32-72-40)55(85)52(65)43(37(7)81)24-34(2)3/h9-11,14-15,18-21,29-30,32-36,43-50,52-54,71,82H,8,12-13,16-17,22-28,31,64-65H2,1-7H3,(H,68,72)(H,69,73)(H,74,86)(H,75,88)(H,76,89)(H,77,90)(H,78,87)(H,79,91)(H,83,84)(H4,66,67,70)
InChI Key AZSXKTYFSLKNEF-UHFFFAOYSA-N

For advanced searching click here to open chemical structure editor

Related Sequences Click here for help
angiotensin-(1-7)  {Sp: Human, Mouse, Rat}
Targets
MAS1; AT2 receptor
angiotensin III  {Sp: Human, Mouse, Rat}
Targets
AT1 receptor; AT2 receptor
angiotensin II  {Sp: Human, Mouse, Rat}
Targets
AT1 receptor; AT2 receptor; Angiotensin-converting enzyme; K2P3.1
angiotensin-(1-9)  {Sp: Human, Mouse, Rat}
Targets
Angiotensin-converting enzyme 2
angiotensin IV  {Sp: Human, Mouse, Rat}
Targets
AT1 receptor
alamandine  {Sp: Human, Mouse, Rat}
angiotensin A  {Sp: Human}
Targets
AT1 receptor; AT2 receptor