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6-oxocyclohex-1-ene-1-carbonyl-CoA

MNXM5572 is deprecated and here replaced by MNXM738177
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738177

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₂₈H₃₈N₇O₁₈P₃S

charge

-4

mass

885.12288

reference

chebi:76526

InChIKey

QFOMSXVUILWRSA-TYHXJLICSA-J

InChI

InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1

SMILES

CC(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)C1=CCCCC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76526 chebi:76526	6-oxocyclohex-1-ene-1-carbonyl-CoA 6-oxocyclohex-1-ene-1-carbonyl-CoA(4-)
seed.compound:cpd06713 seedM:cpd06713	6-Ketoxycyclohex-1-ene-1-carboxyl-CoA 6-Oxocyclohex-1-ene-1-carbonyl-CoA 6-oxocyclohex-1-ene-1-carbonyl-CoA 6-oxocyclohex-1-ene-1-carboxyl-CoA
kegg.compound:C09821 keggC:C09821	6-Oxocyclohex-1-ene-1-carbonyl-CoA 6-Ketoxycyclohex-1-ene-1-carboxyl-CoA
CHEBI:28168 chebi:28168	6-oxocyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 6-Ketoxycyclohex-1-ene-1-carboxyl-CoA 6-ketocyclohex-1-ene-1-carbonyl-coenzyme A 6-oxocyclohex-1-ene-1-carbonyl-coenzyme A
lipidmaps:LMFA07050274 lipidmapsM:LMFA07050274	6-oxocyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 6-ketocyclohex-1-ene-1-carbonyl-coenzyme A 6-oxocyclohex-1-ene-1-carbonyl-coenzyme A CoA 7:3 O
metacyc.compound:6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA metacycM:6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA	6-oxocyclohex-1-ene-1-carbonyl-CoA 6-oxocyclohex-1-ene-1-carboxyl-CoA
chebi:20737 chebi:2206 keggC:M_C09821 seedM:M_cpd06713	secondary/obsolete/fantasy identifier