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cyclohex-1-ene-1-carbonyl-CoA

Properties

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Occurences in reactions

MNX_ID

MNXM3956

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	0

formula

C₂₈H₄₀N₇O₁₇P₃S

charge

-4

mass

871.14362

reference

chebi:76270

InChIKey

YTTZSBMCHSFQSJ-TYHXJLICSA-J

InChI

InChI=1S/C28H44N7O17P3S/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/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(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)C1=CCCCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76270 chebi:76270	cyclohex-1-ene-1-carbonyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} cyclohex-1-ene-1-carbonyl-CoA(4-) cyclohex-1-ene-1-carbonyl-coenzyme A(4-) cyclohex-1-ene-1-formyl-CoA(4-) cyclohex-1-ene-1-formyl-coenzyme A(4-)
envipath:...d6b1c81949e5 envipathM:...d6b1c81949e5	Cyclohex-1-ene-1-carboxyl-CoA
sabiork.compound:11898 sabiorkM:11898 kegg.compound:C09811 keggC:C09811	Cyclohex-1-ene-1-carboxyl-CoA Cyclohex-1-ene-1-carbonyl-CoA
seed.compound:cpd06703 seedM:cpd06703	Cyclohex-1-ene-1-carboxyl-CoA cyclohex-1-ene-1-carbonyl-CoA cyclohex-1-ene-1-carboxyl-CoA
lipidmaps:LMFA07050308 lipidmapsM:LMFA07050308	cyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:2 Cyclohex-1-ene-1-carbonyl-CoA Cyclohex-1-ene-1-formyl-coenzyme A Cyclohex-1-enecarbonyl-CoA Cyclohex-1-enecarboxyl-CoA cyclohex-1-ene-1-carbonyl-coenzyme A
CHEBI:28005 chebi:28005	cyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Cyclohex-1-ene-1-carbonyl-CoA Cyclohex-1-ene-1-carboxyl-CoA Cyclohex-1-ene-1-formyl-coenzyme A Cyclohex-1-enecarbonyl-CoA Cyclohex-1-enecarboxyl-CoA cyclohex-1-ene-1-carbonyl-coenzyme A
metacyc.compound:CPD-533 metacycM:CPD-533	cyclohex-1-ene-1-carbonyl-CoA cyclohex-1-ene-1-carboxyl-CoA
chebi:23461 chebi:4005 keggC:M_C09811 seedM:M_cpd06703	secondary/obsolete/fantasy identifier