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/)
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Synonyms Click here for help
ang I
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
AGT angiotensinogen Human Angiotensinogen alpha-1 antiproteinase, antitrypsin, angiotensinogen (serpin peptidase inhibitor, clade A, member 8), SERPINA8
Agt angiotensinogen Mouse Angiotensinogen angiotensinogen (serpin peptidase inhibitor, angiotensinogen (serpin peptidase inhibitor, clade A, member 8), angiotensin precursor, Aogen, Serpina8
Agt angiotensinogen Rat Angiotensinogen Ang, AngII, angiotensin II, angiotensinogen, angiotensinogen (PAT), angiotensinogen (serpin peptidase inhibitor, clade A, member 8), ANRT, MGC105326, PAT, serpin A8
Database Links Click here for help
BindingDB Ligand 50048131
CAS Registry No. 484-42-4
Ensembl Gene ENSG00000135744 (Hs), ENSMUSG00000031980 (Mm), ENSRNOG00000018445 (Rn)
GtoPdb PubChem SID 135651615
Human Protein Atlas ENSG00000135744 (Hs)
PubChem CID 44299732
Search Google for chemical match using the InChIKey AZSXKTYFSLKNEF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AZSXKTYFSLKNEF
UniChem Compound Search for chemical match using the InChIKey AZSXKTYFSLKNEF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AZSXKTYFSLKNEF-UHFFFAOYSA-N
UniProtKB P01015 (Rn), P11859 (Mm), P01019 (Hs)
Wikipedia Angiotensin#Angiotensin_I