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angiotensin I

PropertiesImage
MNX_IDMNXM10710 Image of MNXM10710
referencechebi:147350
formulaC62H89N17O14
global charge0
mol weight1296.499
InChIKeyORWYRWWVDCYOMK-HBZPZAIKSA-N
InChIInChI=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
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)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](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM10710
SMILES (mnx)[CH3:1][CH2:7][C@H:35]([CH3:6])[C@@H:51]([C:59](=[N:75][C@@H:46]([CH2:27][C:39]1=[CH:30][N:67]=[CH:32][NH:70]1)[C:60]([N:79]1[CH2:22][CH2:12][CH2:16][C@H:48]1[C:57](=[N:73][C@@H:43]([CH2:24][C:36]1=[CH:13][CH:9]=[CH:8][CH:10]=[CH:14]1)[C:54](=[N:72][C@@H:45]([CH2:26][C:38]1=[CH:29][N:66]=[CH:31][NH:69]1)[C:55](=[N:76][C@@H:47]([CH2:23][CH:33]([CH3:2])[CH3:3])[C:61](=[O:92])[OH:93])[OH:86])[OH:85])[OH:88])=[O:91])[OH:90])[N:78]=[C:56]([C@H:44]([CH2:25][C:37]1=[CH:18][CH:20]=[C:40]([OH:80])[CH:19]=[CH:17]1)[N:74]=[C:58]([C@H:50]([CH:34]([CH3:4])[CH3:5])[N:77]=[C:53]([C@H:42]([CH2:15][CH2:11][CH2:21][NH:68][C:62](=[NH:64])[NH2:65])[N:71]=[C:52]([C@H:41]([CH2:28][C:49](=[O:81])[OH:82])[NH2:63])[OH:83])[OH:84])[OH:89])[OH:87]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)25
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147350
chebi:147350
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		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
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		Angiotensin I
hmdb:HMDB0061196
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		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
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		Angiotensin I
Angiotonin
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu
Hypertensin

seed.compound:cpd00648
seedM:cpd00648
ORWYRWWVDCYOMK-HBZPZAIKSA-O 		Angiotensin I
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu
angiotensin I

CHEBI:2718
chebi:2718
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		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
ORWYRWWVDCYOMK-HBZPZAIKSA-N 		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