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bradykinin(1-8)

PropertiesImage
MNX_IDMNXM164406 Image of MNXM164406
referencechebi:133069
formulaC44H62N11O10
global charge1
mol weight905.047
InChIKeyVCEHWDBVPZFHAG-POFDKVPJSA-O
InChIInChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/p+1/t29-,30-,31-,32-,33-,34-,35-/m0/s1
SMILESNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 Image of MNXM164406
SMILES (mnx)[CH:1]1=[CH:3][CH:11]=[C:27]([CH2:23][C@@H:30]([C:37](=[N:52][C@@H:32]([CH2:26][OH:56])[C:41]([N:53]2[CH2:20][CH2:9][CH2:17][C@H:34]2[C:39](=[N:51][C@@H:31]([CH2:24][C:28]2=[CH:13][CH:5]=[CH:2][CH:6]=[CH:14]2)[C:43](=[O:64])[OH:65])[OH:60])=[O:62])[OH:58])[N:50]=[C:36]([CH2:25][N:49]=[C:38]([C@@H:33]2[CH2:16][CH2:8][CH2:21][N:54]2[C:42]([C@@H:35]2[CH2:18][CH2:10][CH2:22][N:55]2[C:40]([C@H:29]([CH2:15][CH2:7][CH2:19][NH:48][C:44](=[NH:46])[NH2:47])[NH2:45])=[O:61])=[O:63])[OH:59])[OH:57])[CH:12]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133069
chebi:133069
VCEHWDBVPZFHAG-POFDKVPJSA-O 		bradykinin(1-8)
1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe(1+)
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe(1+)
RPPGFSPF(1+)
[des-Arg(9)]-bradykinin(1+)
bradykinin, des-arg(9)

CHEBI:133068
chebi:133068
VCEHWDBVPZFHAG-POFDKVPJSA-N 		[des-Arg(9)]-bradykinin
1-8-Bradykinin
9-De-arg-bradykinin
9-Des-arg-BK
9-de-L-Argininebradykinin
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe
Bradykinin, des-arg(9)
Des-arg(9)-bradykinin
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe
L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanine
RPPGFSPF

sabiork.compound:27589
sabiorkM:27589
VCEHWDBVPZFHAG-POFDKVPJSA-N 		des-Arg9-bradykinin