CHEBI:89666 - Angiotensin III

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ChEBI Name Angiotensin III
ChEBI ID CHEBI:89666
Stars This entity has been manually annotated by a third party.
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Formula C46H66N12O9
Net Charge 0
Average Mass 931.093
Monoisotopic Mass 930.508
InChI InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey QMMRCKSBBNJCMR-KMZPNFOHSA-N
SMILES O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)CC3=CC=C(O)C=C3)[C@H](CC)C)CC=4NC=NC4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). 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 )
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ChEBI Ontology
Outgoing Angiotensin III (CHEBI:89666) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
Synonym Source
Des-Asp-1-Angiotensin II HMDB
Manual Xrefs Databases
Angiotensin III Wikipedia
HMDB0001036 HMDB
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Registry Number Type Source
12687-51-3 CAS Registry Number KEGG COMPOUND
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