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(R)-2-hydroxy-4-methylpentanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM31550

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

formula

C₂₇H₄₂N₇O₁₈P₃S

charge

-4

mass

877.15418

reference

chebi:87119

InChIKey

CFNPCSNXESBNGR-LYALRYAQSA-J

InChI

InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16-,19-,20-,21+,25-/m1/s1

SMILES

CC(C)C[C@@H](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:87119 chebi:87119	(R)-2-hydroxy-4-methylpentanoyl-CoA (2R)-2-hydroxy-4-methylpentanoyl-CoA(4-) (2R)-2-hydroxy-4-methylpentanoyl-coenzyme A(4-) (R)-2-hydroxy-4-methylpentanoyl-CoA(4-) (R)-2-hydroxy-4-methylpentanoyl-coenzyme A(4-)
sabiork.compound:31698 sabiorkM:31698 kegg.compound:C21089 keggC:C21089	(R)-2-Hydroxyisocaproyl-CoA (R)-2-Hydroxy-4-methylpentanoyl-CoA
CHEBI:87433 chebi:87433	(R)-2-hydroxy-4-methylpentanoyl-CoA (2R)-2-hydroxy-4-methylpentanoyl-CoA (2R)-2-hydroxy-4-methylpentanoyl-coenzyme A (R)-2-hydroxy-4-methylpentanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-2-methylpentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-11652 metacycM:CPD-11652	(R)-2-hydroxy-4-methylpentanoyl-CoA (R)-2-hydroxyisocaproyl-CoA
seed.compound:cpd23040 seedM:cpd23040	(R)-2-hydroxyisocaproyl-CoA (R)-2-hydroxy-4-methylpentanoyl-CoA
keggC:M_C21089 seedM:M_cpd23040	secondary/obsolete/fantasy identifier