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2,6-dihydroxycyclohexane-1-carbonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM739333

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

formula

C₂₈H₄₆N₇O₁₉P₃S

charge

mass

909.1782

reference

chebi:28576

InChIKey

IDVOAQDDLQQSLO-CXCAYBSSSA-N

InChI

InChI=1S/C28H46N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-16,18,20-22,26,36-37,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,15?,16-,18?,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)C1C(O)CCCC1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28576 chebi:28576	2,6-dihydroxycyclohexane-1-carbonyl-CoA 2,6-Dihydroxycyclohexane-1-carboxyl-CoA 2,6-dihydroxycyclohexane-1-carbonyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,6-dihydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
seed.compound:cpd06716 seedM:cpd06716 kegg.compound:C09824 keggC:C09824	2,6-Dihydroxycyclohexane-1-carboxyl-CoA
lipidmaps:LMFA07050173 lipidmapsM:LMFA07050173	2,6-dihydroxycyclohexane-1-carbonyl-CoA 2,6-dihydroxycyclohexane-1-carbonyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,6-dihydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:1 O2
chebi:19399 chebi:951 keggC:M_C09824 seedM:M_cpd06716	secondary/obsolete/fantasy identifier