angiotensin-(1-7)

Properties Image MNX_ID MNXM5180 reference chebi:58922 formula C41H62N12O11 global charge 0 mol weight 899.02 InChIKey PVHLMTREZMEJCG-GDTLVBQBSA-N InChI InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1 SMILES CC[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)[O-] MNX internals InChI (mnx) InChI=1/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:22]([CH3:4])[C@@H:33]([C:38](=[N:50][C@@H:29]([CH2:17][C:24]1=[CH:19][N:45]=[CH:20][NH:47]1)[C:39]([N:53]1[CH2:15][CH2:7][CH2:9][C@H:30]1[C:40](=[O:63])[OH:64])=[O:62])[OH:61])[N:52]=[C:36]([C@H:28]([CH2:16][C:23]1=[CH:11][CH:13]=[C:25]([OH:54])[CH:12]=[CH:10]1)[N:49]=[C:37]([C@H:32]([CH:21]([CH3:2])[CH3:3])[N:51]=[C:35]([C@H:27]([CH2:8][CH2:6][CH2:14][NH:46][C:41](=[NH:43])[NH2:44])[N:48]=[C:34]([C@H:26]([CH2:18][C:31](=[O:55])[OH:56])[NH2:42])[OH:57])[OH:58])[OH:60])[OH:59]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1