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angiotensin I

Properties

Image

Occurences in reactions

MNX_ID

MNXM10710

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	1

formula

C₆₂H₈₉N₁₇O₁₄

charge

mass

1295.67749

reference

chebi:147350

InChIKey

ORWYRWWVDCYOMK-HBZPZAIKSA-N

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

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](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:147350 chebi:147350	angiotensin I Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu L-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucine N(5)-[amino(iminio)methyl]-N(2)-[(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 angiotensin I dizwitterion
kegg.compound:C00873 keggC:C00873	Angiotensin I
hmdb:HMDB0061196	Angiotensin I (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanoic acid (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(3H-imidazol-4-yl)propanamido]-4-methylpentanoic acid 5-Ile-angiotensin I I, angiotensin
sabiork.compound:5294 sabiorkM:5294	Angiotensin I Angiotonin Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu Hypertensin
seed.compound:cpd00648 seedM:cpd00648	Angiotensin I Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu angiotensin I
CHEBI:2718 chebi:2718	angiotensin I Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu D-R-V-Y-I-H-P-F-H-L DRVYIHPFHL L-Asp-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro-L-Phe-L-His-L-Leu L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucine pepsitensin proangiotensin
metacyc.compound:CPD-13004 metacycM:CPD-13004	angiotensin-1 Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu angiotensin I proangiotensin
hmdb:HMDB61196 keggC:M_C00873 seedM:M_cpd00648	secondary/obsolete/fantasy identifier