CHEBI:147350 - angiotensin I dizwitterion

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ChEBI Name angiotensin I dizwitterion ChEBI ID CHEBI:147350 Definition A peptide zwitterion that is the dizwitterionic form of angiotensin I having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C62H89N17O14 Net Charge 0 Average Mass 1296.499 Monoisotopic Mass 1295.67749 InChI InChI=1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1 InChIKey ORWYRWWVDCYOMK-HBZPZAIKSA-N SMILES [C@H](NC([C@H](CC([O-])=O)[NH3+])=O)(CCCNC(N)=[NH2+])C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1[C@@H](CCC1)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CNC=N3)C(N[C@H](C([O-])=O)CC(C)C)=O)=O)=O)=O)CC4=CN=CN4)=O)[C@H](CC)C)=O)CC5=CC=C(C=C5)O)=O)C(C)C)=O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing angiotensin I dizwitterion (CHEBI:147350) has role human metabolite (CHEBI:77746) angiotensin I dizwitterion (CHEBI:147350) is a peptide zwitterion (CHEBI:60466) angiotensin I dizwitterion (CHEBI:147350) is tautomer of angiotensin I (CHEBI:2718) Incoming angiotensin I (CHEBI:2718) is tautomer of angiotensin I dizwitterion (CHEBI:147350) IUPAC Name N5-[amino(iminio)methyl]-N2-[(2S)-2-azaniumyl-3-carboxylatopropanoyl]-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-N-[(1S)-1-carboxylato-3-methylbutyl]-L-histidinamide Synonyms Sources angiotensin I UniProt Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu SUBMITTER L-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucine SUBMITTER Manual Xref Database CPD-13004 MetaCyc View more database links Citations Types Sources 20026757 PubMed citation Europe PMC PMC7112834 PubMed Central citation Europe PMC Last Modified 09 April 2020