Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde

MNXM2939 is deprecated and here replaced by MNXM733565
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM733565Image of MNXM733565
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
formulaC29H44N7O19P3S
charge0
mass919.16255
referencekeggC:C19946
InChIKeyXYGQIZWAZKPGNV-ZVEAYUPDSA-N
InChIInChI=1S/C29H44N7O19P3S/c1-29(2,24(42)27(43)32-8-7-19(39)31-9-11-59-20(40)12-17(38)6-4-3-5-10-37)14-52-58(49,50)55-57(47,48)51-13-18-23(54-56(44,45)46)22(41)28(53-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-4,10,15-16,18,22-24,28,41-42H,5-9,11-14H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b4-3-/t18-,22-,23-,24+,28-/m1/s1
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C/C=C\CC=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
kegg.compound:C19946
keggC:C19946 		3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde
CHEBI:63256
chebi:63256 		3,8-dioxooct-5-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3,8-dioxooct-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3,8-dioxo-5,6-dehydrooctanoyl-CoA
3-oxo-5,6-dehydrosuberyl-CoA semialdehyde
lipidmaps:LMFA07050200
lipidmapsM:LMFA07050200 		3,8-dioxooct-5-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3,8-dioxooct-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3,8-dioxo-5,6-dehydrooctanoyl-CoA
3-oxo-5,6-dehydrosuberyl-CoA semialdehyde
CoA 8:3
O2
seed.compound:cpd21185
seedM:cpd21185 		3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde
(5Z)-3,8-dioxooct-5-enoyl-CoA
3-oxo-5,6-dehydrosuberyl-CoA semialdehyde
3-oxo-5,6-didehydrosuberyl-CoA semialdehyde
CHEBI:63257
chebi:63257 		3-oxo-5,6-dehydrosuberyl-CoA semialdehyde
3,8-dioxooct-5-enoyl-CoA tetraanion
3,8-dioxooct-5-enoyl-CoA(4-)
3-oxo-5,6-dehydrosuberyl-CoA semialdehyde tetraanion
3-oxo-5,6-dehydrosuberyl-CoA semialdehyde(4-)
metacyc.compound:CPDMETA-13650
metacycM:CPDMETA-13650 		3-oxo-5,6-didehydrosuberyl-CoA semialdehyde
(5Z)-3,8-dioxooct-5-enoyl-CoA
keggC:M_C19946
seedM:M_cpd21185 		secondary/obsolete/fantasy identifier