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

Propanoyl-CoA

PropertiesImage
MNX_IDMNXM1364267 Image of MNXM1364267
referenceenvipathM:...d081d81bc1a6
formulaC24H40N7O17P3S
global charge0
mol weight823.605
InChIKeyQAQREVBBADEHPA-UHFFFAOYSA-N
InChIInChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)
SMILESCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN=C3N)C(O)C1OP(=O)(O)O
MNX internals
InChI (mnx)InChI=1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13?,17?,18?,19?,23? Image of MNXM1364267
SMILES (mnx)[CH3:1][CH2:4][C:15](=[O:33])[S:52][CH2:8][CH2:7][N:26]=[C:14]([CH2:5][CH2:6][N:27]=[C:22]([CH:19]([C:24]([CH3:2])([CH3:3])[CH2:10][O:45][P:51]([OH:42])(=[O:43])[O:48][P:50]([OH:40])(=[O:41])[O:44][CH2:9][CH:13]1[CH:18]([O:47][P:49]([OH:37])([OH:38])=[O:39])[CH:17]([OH:34])[CH:23]([N:31]2[CH:12]=[N:30][C:16]3=[C:20]([NH2:25])[N:28]=[CH:11][N:29]=[C:21]32)[O:46]1)[OH:35])[OH:36])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...d081d81bc1a6
envipathM:...d081d81bc1a6
QAQREVBBADEHPA-UHFFFAOYSA-N 		Propanoyl-CoA
hmdb:HMDB0304472
QAQREVBBADEHPA-UHFFFAOYSA-J 		propanoyl-CoA
3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propyl ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propyl {[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxyphosphonate
4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(propanoylsulfanyl)ethyl]carboximidato}ethyl)butanecarboximidic acid
4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(propanoylsulphanyl)ethyl]carboximidato}ethyl)butanecarboximidate
4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(propanoylsulphanyl)ethyl]carboximidato}ethyl)butanecarboximidic acid