Kinetensin 1-7

Properties Image MNX_ID MNXM738590 reference biggM:CE5788 formula C41H67N15O9 global charge 2 mol weight 914.083 InChIKey QMQIVQMAYCBWNH-BKRGGBFWSA-P InChI InChI=1S/C41H65N15O9/c1-4-22(2)32(42)37(62)51-23(3)33(58)52-27(8-5-15-48-40(43)44)34(59)53-28(9-6-16-49-41(45)46)35(60)54-29(19-25-20-47-21-50-25)38(63)56-17-7-10-31(56)36(61)55-30(39(64)65)18-24-11-13-26(57)14-12-24/h11-14,20-23,27-32,57H,4-10,15-19,42H2,1-3H3,(H,47,50)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,64,65)(H4,43,44,48)(H4,45,46,49)/p+2/t22-,23+,27-,28+,29+,30-,31-,32-/m1/s1 SMILES CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C41H65N15O9/c1-4-22(2)32(42)37(62)51-23(3)33(58)52-27(8-5-15-48-40(43)44)34(59)53-28(9-6-16-49-41(45)46)35(60)54-29(19-25-20-47-21-50-25)38(63)56-17-7-10-31(56)36(61)55-30(39(64)65)18-24-11-13-26(57)14-12-24/h11-14,20-23,27-32,57H,4-10,15-19,42H2,1-3H3,(H,47,50)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,64,65)(H4,43,44,48)(H4,45,46,49)/t22-,23+,27-,28+,29+,30-,31-,32-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][C@@H:22]([CH3:2])[C@H:32]([C:37](=[N:51][C@@H:23]([CH3:3])[C:33](=[N:52][C@H:27]([CH2:8][CH2:5][CH2:15][NH:48][C:40](=[NH:43])[NH2:44])[C:34](=[N:53][C@@H:28]([CH2:9][CH2:6][CH2:16][NH:49][C:41](=[NH:45])[NH2:46])[C:35](=[N:54][C@@H:29]([CH2:19][C:25]1=[CH:20][N:47]=[CH:21][NH:50]1)[C:38]([N:56]1[CH2:17][CH2:7][CH2:10][C@@H:31]1[C:36](=[N:55][C@H:30]([CH2:18][C:24]1=[CH:12][CH:14]=[C:26]([OH:57])[CH:13]=[CH:11]1)[C:39](=[O:64])[OH:65])[OH:61])=[O:63])[OH:60])[OH:59])[OH:58])[OH:62])[NH2:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 3