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

3-Hydroxypentanoyl Coenzyme A

Properties Image Occurences in reactions MNX_ID MNXM1364295 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 2 formula C26H40N7O18P3S charge -4 mass 863.616 reference biggM:M00797 InChIKey YYGYPCRWZMLSGK-XMWLYHNJSA-J InChI InChI=1S/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14?,15-,19-,20-,21+,25-/m1/s1 SMILES [CH3:1][CH2:4][CH:14]([CH2:9][C:17](=[O:36])[S:55][CH2:8][CH2:7][N:28]=[C:16]([CH2:5][CH2:6][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:11][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:10][C@@H:15]1[C@@H:20]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:19]([OH:37])[C@H:25]([n:33]2[cH:13][n:32][c:18]3[c:22]([NH2:27])[n:30][cH:12][n:31][c:23]32)[O:49]1)[OH:38])[OH:39])[OH:35])[OH:34]

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:M00797 biggM:M00797	3-Hydroxypentanoyl Coenzyme A
seed.compound:cpd37112 seedM:cpd37112	CPD-15660
biggM:M_M00797 seedM:M_cpd37112	secondary/obsolete/fantasy identifier