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2-hydroxycyclohexane-1-carbonyl-CoA

MNXM5472 is deprecated and here replaced by MNXM738006
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738006 Image of MNXM738006
referencechebi:28169
formulaC28H46N7O18P3S
global charge0
mol weight893.696
InChIKeyOIFANTIHESWSAR-AZKLLKNGSA-N
InChIInChI=1S/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22+,26-/m1/s1
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1O
MNX internals
InChI (mnx)InChI=1/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22+,26-/m1/s1 Image of MNXM738006
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:12][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:11][C@@H:17]1[C@@H:21]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:20]([OH:38])[C@H:26]([N:35]2[CH:14]=[N:34][C:19]3=[C:23]([NH2:29])[N:32]=[CH:13][N:33]=[C:24]32)[O:51]1)[C@H:22]([C:25](=[N:31][CH2:8][CH2:7][C:18](=[N:30][CH2:9][CH2:10][S:57][C:27]([CH:15]1[CH2:5][CH2:3][CH2:4][CH2:6][CH:16]1[OH:36])=[O:41])[OH:37])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28169
chebi:28169
OIFANTIHESWSAR-AZKLLKNGSA-N 		2-hydroxycyclohexane-1-carbonyl-CoA
2-Hydroxycyclohexane-1-carbonyl-CoA
2-Hydroxycyclohexane-1-carboxyl-CoA
2-Hydroxycyclohexanecarbonyl-CoA
2-Hydroxycyclohexanecarboxyl-CoA
2-hydroxycyclohexane-1-carbonyl-coenzyme A
2-hydroxycyclohexanecarboxyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

vmhM:2hcych1cbxlcoa
vmhmetabolite:2hcych1cbxlcoa
OIFANTIHESWSAR-AZKLLKNGSA-N 		(2-Hydroxycyclohexane-1-carboxyl-CoA

kegg.compound:C09812
keggC:C09812
OIFANTIHESWSAR-AZKLLKNGSA-N 		2-Hydroxycyclohexane-1-carbonyl-CoA
2-Hydroxycyclohexane-1-carboxyl-CoA

seed.compound:cpd06704
seedM:cpd06704
OIFANTIHESWSAR-AZKLLKNGSA-J 		2-Hydroxycyclohexane-1-carboxyl-CoA
2-hydroxy-cyclohexane-1-carbonyl-CoA
2-hydroxy-cyclohexane-1-carboxyl-CoA

metacyc.compound:CPD-537
metacycM:CPD-537
OIFANTIHESWSAR-AZKLLKNGSA-J 		2-hydroxy-cyclohexane-1-carbonyl-CoA
2-hydroxy-cyclohexane-1-carboxyl-CoA

lipidmaps:LMFA07050182
lipidmapsM:LMFA07050182
OIFANTIHESWSAR-AZKLLKNGSA-N 		2-hydroxycyclohexane-1-carbonyl-CoA
2-Hydroxycyclohexane-1-carbonyl-CoA
2-Hydroxycyclohexanecarbonyl-CoA
2-Hydroxycyclohexanecarboxyl-CoA
2-hydroxycyclohexane-1-carbonyl-coenzyme A
2-hydroxycyclohexanecarboxyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 7:1
O

chebi:1153
chebi:19635
keggC:M_C09812
seedM:M_cpd06704
vmhM:M_2hcych1cbxlcoa 		secondary/obsolete/fantasy identifier