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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
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2D Structure
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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.

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SMILES / InChI / InChIKey
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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.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
Angiotensin-converting enzyme
Angiotensin-converting enzyme 2 1
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Endogenous substrates at Angiotensin-converting enzyme angiotensin I (AGT, P01019) > angiotensin II (AGT, P01019)
Endogenous substrates at Angiotensin-converting enzyme 2 angiotensin I (AGT, P01019) > angiotensin-(1-9) (AGT, P01019) 1