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

2-Methylhexanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1377419 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H48N7O17P3S charge 0 mass 879.703 reference lipidmapsM:LMFA07050192 InChIKey QZBBWKARTWOCMU-BEMBNQBDSA-N InChI InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t16?,17-,20-,21-,22?,26-/m1/s1 SMILES [CH3:1][CH2:5][CH2:6][CH2:7][CH:16]([CH3:2])[C:27](=[O:40])[S:56][CH2:11][CH2:10][N:30]=[C:18]([CH2:8][CH2:9][N:31]=[C:25]([CH:22]([C:28]([CH3:3])([CH3:4])[CH2:13][O:49][P:55]([OH:46])(=[O:47])[O:52][P:54]([OH:44])(=[O:45])[O:48][CH2:12][C@@H:17]1[C@@H:21]([O:51][P:53]([OH:41])([OH:42])=[O:43])[C@@H:20]([OH:37])[C@H:26]([n:35]2[cH:15][n:34][c:19]3[c:23]([NH2:29])[n:32][cH:14][n:33][c:24]32)[O:50]1)[OH:38])[OH:39])[OH:36]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
lipidmaps:LMFA07050192 lipidmapsM:LMFA07050192	2-Methylhexanoyl-CoA CoA 7:0 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylhexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid