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cyclohexane-1-carbonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM5111

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

formula

C₂₈H₄₂N₇O₁₇P₃S

charge

-4

mass

873.15927

reference

chebi:76271

InChIKey

QRSKGVRHSLILFG-TYHXJLICSA-J

InChI

InChI=1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/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)C1CCCCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76271 chebi:76271	cyclohexane-1-carbonyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} cyclohexane-1-carbonyl-CoA(4-) cyclohexane-1-carbonyl-coenzyme A(4-) cyclohexane-1-formyl-CoA(4-) cyclohexane-1-formyl-coenzyme A(4-)
sabiork.compound:11910 sabiorkM:11910 kegg.compound:C09823 keggC:C09823	Cyclohexane-1-carboxyl-CoA Cyclohexane-1-carbonyl-CoA
seed.compound:cpd06715 seedM:cpd06715	Cyclohexane-1-carboxyl-CoA cyclohexane-1-carbonyl-CoA cyclohexane-1-carboxyl-CoA
lipidmaps:LMFA07050312 lipidmapsM:LMFA07050312	cyclohexane-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:1 Coenzyme A, S-cyclohexanecarboxylate Cyclohexanecarboxyl-coa Cyclohexanecarboxyl-coenzyme A cyclohexane-1-carbonyl-coenzyme A cyclohexane-1-carboxyl-coenzyme A
CHEBI:28557 chebi:28557	cyclohexane-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Coenzyme A, S-cyclohexanecarboxylate Cyclohexane-1-carboxyl-CoA Cyclohexanecarboxyl-coa Cyclohexanecarboxyl-coenzyme A cyclohexane-1-carbonyl-coenzyme A cyclohexane-1-carboxyl-coenzyme A
metacyc.compound:CPD-577 metacycM:CPD-577	cyclohexane-1-carbonyl-CoA cyclohexane-1-carboxyl-CoA cyclohexylcarbonyl-CoA
seed.compound:cpd26667 seedM:cpd26667	cyclohexylcarbonyl-CoA
chebi:23474 chebi:4011 keggC:M_C09823 seedM:M_cpd06715 seedM:M_cpd26667	secondary/obsolete/fantasy identifier