dynorphin A

Properties Image MNX_ID MNXM51733 reference chebi:4727 formula C69H116N23O13 global charge 1 mol weight 1475.835 InChIKey ZIHYAUCIMOSJIH-QGLXRRFISA-O InChI InChI=1S/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/p+1/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1 SMILES CCC(C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC(=N)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O MNX internals InChI (mnx) InChI=1/C69H115N23O13/c1-7-41(6)56(65(104)88-49(22-15-31-81-69(77)78)66(105)92-32-16-23-53(92)64(103)87-46(19-11-12-28-70)60(99)89-50(57(72)96)33-39(2)3)91-61(100)48(21-14-30-80-68(75)76)85-59(98)47(20-13-29-79-67(73)74)86-62(101)51(34-40(4)5)90-63(102)52(36-42-17-9-8-10-18-42)84-55(95)38-82-54(94)37-83-58(97)45(71)35-43-24-26-44(93)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,93H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H2,72,96)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,90,102)(H,91,100)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t41?,45-,46+,47-,48-,49-,50+,51-,52-,53+,56+/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH:41]([CH3:6])[C@@H:56]([C:65](=[N:88][C@H:49]([CH2:22][CH2:15][CH2:31][NH:81][C:69](=[NH:77])[NH2:78])[C:66]([N:92]1[CH2:32][CH2:16][CH2:23][C@H:53]1[C:64](=[N:87][C@@H:46]([CH2:19][CH2:11][CH2:12][CH2:28][NH2:70])[C:60](=[N:89][C@@H:50]([CH2:33][CH:39]([CH3:2])[CH3:3])[C:57](=[NH:72])[OH:96])[OH:99])[OH:103])=[O:105])[OH:104])[N:91]=[C:61]([C@@H:48]([CH2:21][CH2:14][CH2:30][NH:80][C:68](=[NH:75])[NH2:76])[N:85]=[C:59]([C@@H:47]([CH2:20][CH2:13][CH2:29][NH:79][C:67](=[NH:73])[NH2:74])[N:86]=[C:62]([C@@H:51]([CH2:34][CH:40]([CH3:4])[CH3:5])[N:90]=[C:63]([C@@H:52]([CH2:36][C:42]1=[CH:17][CH:9]=[CH:8][CH:10]=[CH:18]1)[N:84]=[C:55]([CH2:38][N:82]=[C:54]([CH2:37][N:83]=[C:58]([C@@H:45]([CH2:35][C:43]1=[CH:25][CH:27]=[C:44]([OH:93])[CH:26]=[CH:24]1)[NH2:71])[OH:97])[OH:94])[OH:95])[OH:102])[OH:101])[OH:98])[OH:100]

Parent-child relations graph

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