Feedback

4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM6892

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₃₁H₄₈N₇O₁₈P₃S

charge

mass

931.19894

reference

chebi:29489

InChIKey

RTPWRCREAVUAOI-KSYPWXJLSA-N

InChI

InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25+,29-/m1/s1

SMILES

C=C(C)C1CCC(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)C(=O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29489 chebi:29489	4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[2-oxo-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA 4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA 4-isopropenyl-2-oxocyclohexane-1-carbonyl-coenzyme A 4-isopropenyl-2-oxy-cyclohexanecarboxyl-coenzyme A
metacyc.compound:2-Oxo-4-IPCH-1-carboxyl-CoA metacycM:2-Oxo-4-IPCH-1-carboxyl-CoA	2-oxo-4-Isopropenylcyclohexane-1-carboxyl-CoA
seed.compound:cpd08732 seedM:cpd08732 kegg.compound:C11935 keggC:C11935	4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA
keggC:M_C11935 seedM:M_cpd08732	secondary/obsolete/fantasy identifier