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2-hydroxyisobutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM162736

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

formula

C₂₅H₃₈N₇O₁₈P₃S

charge

-4

mass

849.12288

reference

chebi:131780

InChIKey

FFVUICCDNWZCRC-ZSJPKINUSA-J

InChI

InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,16-,17-,18+,22-/m1/s1

SMILES

CC(C)(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131780 chebi:131780	2-hydroxyisobutanoyl-CoA 2-hydroxyisobutanoyl-CoA(4-) 2-hydroxyisobutanoyl-coenzyme A(4-) 2-hydroxyisobutyryl-CoA(4-) 2-hydroxyisobutyryl-coenzyme A(4-)
kegg.compound:C21287 keggC:C21287	2-Hydroxyisobutanoyl-CoA 2-Hydroxy-2-methylpropanoyl-CoA
metacyc.compound:CPD-19040 metacycM:CPD-19040 seed.compound:cpd34902 seedM:cpd34902	2-hydroxy-2-methylpropanoyl-CoA 2-hydroxyisobutanoyl-CoA 2-hydroxyisobutyryl-CoA
CHEBI:132116 chebi:132116	2-hydroxyisobutanoyl-CoA 2-hydroxyisobutanoyl-coenzyme A 2-hydroxyisobutyryl-CoA 2-hydroxyisobutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
keggC:M_C21287 seedM:M_cpd34902	secondary/obsolete/fantasy identifier