OntologiesslmclassesCHEBI:147351   
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angiotensin (1-9) dizwitterionImported
http://purl.obolibrary.org/obo/CHEBI_147351

A peptide zwitterion that is the dizwitterionic form of angiotensin (1-9) having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3.

Defined bychebi
Also appears incido
Exact Synonyms
angiotensin (1-9) dizwitterion
N(5)-[amino(iminio)methyl]-N(2)-[(2S)-2-azaniumyl-3-carboxylatopropanoyl]-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-N-[(1S)-1-carboxylato-2-(1H-imidazol-4-yl)ethyl]-L-phenylalaninamide
Related Synonyms
angiotensin-(1-9) dizwitterion
angiotensin-(1-9)
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His
class Information
charge

0

formula

C56H78N16O13

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1

inchikey

LJXGOQOPNPFXFT-JWRYNVNRSA-N

in_subset

3_STAR

mass

1183.339

monoisotopicmass

1182.59343

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([O-])=O)=O)=O)=O)CC4=CN=CN4)=O)[C@H](CC)C)=O)CC=5C=CC(=CC5)O)=O)C(C)C)=O

class Relations