**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1376176 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C31H50N7O17P3S charge 0 mass 917.752 reference lipidmapsM:LMFA07050384 InChIKey MPYXOYHSKAAPLW-LBZPFNSKSA-N InChI InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23?,24+,25+,29-/m1/s1 SMILES [CH3:1][CH:17]([CH3:2])[C:18](=[CH2:3])[CH2:7]/[CH:8]=[C:19](/[CH3:4])[C:30](=[O:43])[S:59][CH2:12][CH2:11][N:33]=[C:21]([CH2:9][CH2:10][N:34]=[C:28]([C@@H:25]([C:31]([CH3:5])([CH3:6])[CH2:14][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:13][C@@H:20]1[C@H:24]([O:54][P:56]([OH:44])([OH:45])=[O:46])[CH:23]([OH:40])[C@H:29]([n:38]2[cH:16][n:37][c:22]3[c:26]([NH2:32])[n:35][cH:15][n:36][c:27]32)[O:53]1)[OH:41])[OH:42])[OH:39]

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Similar chemical compounds in external resources

Identifier	Description
lipidmaps:LMFA07050384 lipidmapsM:LMFA07050384	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA CoA 10:2 {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2Z)-2,6-dimethyl-5-methylidenehept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
vmhM:t2m26dcoa vmhmetabolite:t2m26dcoa	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2Z)-2,6-dimethyl-5-methylidenehept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](h