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 ChemicalBook:CB3395075 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