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cyclohexa-1,5-diene-1-carbonyl-CoA

Properties

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Occurences in reactions

MNX_ID

MNXM1657

	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	2

formula

C₂₈H₃₈N₇O₁₇P₃S

charge

-4

mass

869.625583

reference

chebi:57374

InChIKey

IHXBZDHPKCDGKN-TYHXJLICSA-J

InChI

InChI=1S/C28H42N7O17P3S/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/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57374 chebi:57374	cyclohexa-1,5-diene-1-carbonyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} cyclohexa-1,5-diene-1-carbonyl-CoA(4-)
kegg.compound:C06322 keggC:C06322	Cyclohexa-1,5-diene-1-carbonyl-CoA Cyclohexa-1,5-dienecarbonyl-CoA S-1,5-Cyclohexadiene-1-carboxylate coenzymeA
bigg.metabolite:ch15deccoa biggM:ch15deccoa	Cyclohexa-1,5-dienecarbonyl-CoA
seed.compound:cpd03763 seedM:cpd03763	Cyclohexa-1,5-dienecarbonyl-CoA Cyclohexa-1,5-diene-1-carbonyl-CoA S-1,5-Cyclohexadiene-1-carboxylate coenzymeA cyclohex-1,5-diene-1-carbonyl-CoA cyclohexa-1,5-diene-1-carbonyl-CoA cyclohexa-1,5-diene-1-carbonyl-coenzymeA cyclohexa-1,5-diene-1-carboxyl-CoA cyclohexa-1,5-dienecarbonyl-CoA
sabiork.compound:8540 sabiorkM:8540	S-1,5-Cyclohexadiene-1-carboxylate coenzymeA Cyclohexa-1,5-diene-1-carbonyl-CoA Cyclohexa-1,5-dienecarbonyl-CoA
metacyc.compound:CYCLOHEXA-15-DIENE-1-CARBONYL-COA metacycM:CYCLOHEXA-15-DIENE-1-CARBONYL-COA	cyclohex-1,5-diene-1-carbonyl-CoA S-1,5-Cyclohexadiene-1-carboxylate coenzymeA cyclohexa-1,5-diene-1-carbonyl-CoA cyclohexa-1,5-diene-1-carbonyl-coenzymeA cyclohexa-1,5-diene-1-carboxyl-CoA cyclohexa-1,5-dienecarbonyl-CoA
CHEBI:15520 chebi:15520	cyclohexa-1,5-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Cyclohex-1,5-diene-1-carboxyl-CoA Cyclohexa-1,5-diene-1-carbonyl-CoA Cyclohexa-1,5-dienecarbonyl-CoA S-1,5-Cyclohexadiene-1-carboxylate coenzymeA cyclohex-1,5-diene-1-carbonyl-CoA cyclohex-1,5-dienecarbonyl-CoA cyclohex-1,5-dienecarboxyl-CoA cyclohexa-1,5-diene-1-carbonyl-coenzymeA
lipidmaps:LMFA07050310 lipidmapsM:LMFA07050310	cyclohexa-1,5-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Cyclohex-1,5-diene-1-carboxyl-CoA cyclohex-1,5-diene-1-carbonyl-CoA cyclohex-1,5-dienecarbonyl-CoA cyclohex-1,5-dienecarboxyl-CoA
chebi:14048 chebi:14049 chebi:22023 chebi:23460 chebi:8938 biggM:M_ch15deccoa keggC:M_C06322 seedM:M_cpd03763	secondary/obsolete/fantasy identifier