angiotensin I dizwitterion (CHEBI:147350)

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CHEBI:147350 - angiotensin I dizwitterion

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ChEBI ID	CHEBI:147350
ChEBI Name	angiotensin I dizwitterion
Stars
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.
Last Modified	9 April 2020
Submitter	Elisabeth Coudert
Downloads	Molfile

Formula	C62H89N17O14
Net Charge	0
Average Mass	1296.499
Monoisotopic Mass	1295.67749
SMILES	CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]
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

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	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	Source
L-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucine	SUBMITTER
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu	SUBMITTER

UniProt Name	Source
angiotensin I	UniProt

Manual Xrefs	Databases
CPD-13004	MetaCyc

Citations