Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

4-(phosphooxy)pentanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM818744Image of MNXM818744
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC26H39N7O21P4S
charge-6
mass941.578
referenceseedM:cpd35242
InChIKeyPEJFDCWHHVWOCK-XMWLYHNJSA-H
InChIInChI=1S/C26H45N7O21P4S/c1-14(52-55(39,40)41)4-5-17(35)59-9-8-28-16(34)6-7-29-24(38)21(37)26(2,3)11-50-58(47,48)54-57(45,46)49-10-15-20(53-56(42,43)44)19(36)25(51-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,4-11H2,1-3H3,(H,28,34)(H,29,38)(H,45,46)(H,47,48)(H2,27,30,31)(H2,39,40,41)(H2,42,43,44)/p-6/t14?,15-,19-,20-,21+,25-/m1/s1
SMILES[CH3:1][CH:14]([CH2:4][CH2:5][C:17](=[O:35])[S:59][CH2:9][CH2:8][N:28]=[C:16]([CH2:6][CH2:7][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:11][O:50][P:58]([OH:47])(=[O:48])[O:54][P:57]([OH:45])(=[O:46])[O:49][CH2:10][C@@H:15]1[C@@H:20]([O:53][P:56]([OH:42])([OH:43])=[O:44])[C@@H:19]([OH:36])[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:51]1)[OH:37])[OH:38])[OH:34])[O:52][P:55]([OH:39])([OH:40])=[O:41]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-20683
metacycM:CPD-20683
seed.compound:cpd35242
seedM:cpd35242 		4-(phosphooxy)pentanoyl-CoA
seedM:M_cpd35242 secondary/obsolete/fantasy identifier