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Angiotensin IV

PropertiesImage
MNX_IDMNXM42097 Image of MNXM42097
referencechebi:80127
formulaC40H54N8O8
global charge0
mol weight774.92
InChIKeyQSBGWDDCOJYQGY-KOQODJNWSA-N
InChIInChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 Image of MNXM42097
SMILES (mnx)[CH3:1][CH2:5][C@H:24]([CH3:4])[C@@H:34]([C:38](=[N:45][C@@H:30]([CH2:20][C:27]1=[CH:21][N:42]=[CH:22][NH:43]1)[C:39]([N:48]1[CH2:17][CH2:9][CH2:12][C@H:32]1[C:36](=[N:46][C@@H:31]([CH2:19][C:25]1=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]1)[C:40](=[O:55])[OH:56])[OH:51])=[O:54])[OH:53])[N:47]=[C:35]([C@H:29]([CH2:18][C:26]1=[CH:14][CH:16]=[C:28]([OH:49])[CH:15]=[CH:13]1)[N:44]=[C:37]([C@H:33]([CH:23]([CH3:2])[CH3:3])[NH2:41])[OH:52])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd14580
seedM:cpd14580
CHEBI:80127
chebi:80127
kegg.compound:C15849
keggC:C15849
QSBGWDDCOJYQGY-KOQODJNWSA-N 		Angiotensin IV
Angiotensin II, 1-des-asn-2-arg
hmdb:HMDB0001038
QSBGWDDCOJYQGY-KOQODJNWSA-N 		Angiotensin IV
(2S)-2-({[(2S)-1-[(2S)-2-{[(2S,3S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanoate
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
(3-8)-5-Isoleucine-angiotensin II
(Des(asp1,arg2)-ile5)angiotensin II
(Ile5)-angiotensin II (3-8)
(Isoleucine5)-angiotensin II hexapeptide
(a)II(3-8)
1-De-asp-2-de-arg-5-ile-angiotensin II
3-L-Isoleucine-angiotensin IV
5-Isoleucine-angiotensin II 3-8-hexapeptide
Angiotensin II (3-8)
Huamn angiotensin (3-8)
Human angiotensin IV
Human angiotensin hexapeptide (3-8)
Ile3-angiotensin IV
Nle-angiv
Val-tyr-ile-his-pro-phe

metacyc.compound:CPD-23974
metacycM:CPD-23974
QSBGWDDCOJYQGY-KOQODJNWSA-N 		angiotensin-4
Val-Tyr-Ile-His-Pro-Phe
angiotensin IV

hmdb:HMDB01038
keggC:M_C15849
seedM:M_cpd14580 		secondary/obsolete/fantasy identifier