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(1-hydroxycyclohexan-1-yl)acetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4153

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

formula

C₂₉H₄₄N₇O₁₈P₃S

charge

-4

mass

903.16983

reference

chebi:57311

InChIKey

PWNCFVRYBIYOCK-SVHODSNWSA-J

InChI

InChI=1S/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15-34-25(20)36/h15-17,21-23,27,39-40,42H,3-14H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,21-,22-,23+,27-/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)CC1(O)CCCCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57311 chebi:57311	(1-hydroxycyclohexan-1-yl)acetyl-CoA (1-hydroxycyclohexyl)acetyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl]diphosphate}
kegg.compound:C04316 keggC:C04316	(1-Hydroxycyclohexan-1-yl)acetyl-CoA
seed.compound:cpd02648 seedM:cpd02648	(1-Hydroxycyclohexan-1-yl)acetyl-CoA (1-hydroxycyclohexan-1-yl)acetyl-CoA
metacyc.compound:CPD-625 metacycM:CPD-625	(1-hydroxycyclohexan-1-yl)acetyl-CoA
CHEBI:15448 chebi:15448	(1-hydroxycyclohexyl)acetyl-CoA (1-Hydroxycyclohexan-1-yl)acetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050100 lipidmapsM:LMFA07050100	(1-hydroxycyclohexyl)acetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 8:1 O
chebi:10819 chebi:140 chebi:18506 keggC:M_C04316 seedM:M_cpd02648	secondary/obsolete/fantasy identifier