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(3R)-3-hydroxybutanoyl-CoA

MNXM726347 is deprecated and replaced by MNXM162788

Properties

Image

Occurences in reactions

MNX_ID

MNXM162788

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	20

formula

C₂₅H₃₈N₇O₁₈P₃S

charge

-4

mass

849.12288

reference

chebi:57315

InChIKey

QHHKKMYHDBRONY-WZZMXTMRSA-J

InChI

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

SMILES

C[C@@H](O)CC(=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:57315 chebi:57315	(3R)-3-hydroxybutanoyl-CoA (R)-3-hydroxybutanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
metacyc.compound:CPD-650 metacycM:CPD-650	(3R)-3-hydroxybutanoyl-CoA (3R)-3-Hydroxybutanoyl-CoA 3-OH-butyryl-CoA 3-hydroxybutanoyl-CoA 3-hydroxybutyryl-CoA D-3-hydroxybutyryl-CoA OH-butyryl-CoA beta-hydroxybutyryl-CoA beta-hydroxybutyryl-S-CoA hydroxy-butyryl-CoA
SLM:000389933 slm:000389933	(3R)-hydroxybutanoyl-CoA
sabiork.compound:6700 sabiorkM:6700 seed.compound:cpd02234 seedM:cpd02234 kegg.compound:C03561 keggC:C03561	(R)-3-Hydroxybutanoyl-CoA (3R)-3-Hydroxybutanoyl-CoA
bigg.metabolite:3hbcoa__R biggM:3hbcoa__R	(R)-3-Hydroxybutyryl-CoA
CHEBI:15452 chebi:15452	(R)-3-hydroxybutanoyl-CoA (3R)-3-Hydroxybutanoyl-CoA (R)-3-Hydroxybutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050148 lipidmapsM:LMFA07050148	(R)-3-hydroxybutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 4:0 O
seed.compound:cpd03043 seedM:cpd03043	3-Hydroxybutanoyl-CoA (3R)-3-Hydroxybutanoyl-CoA (3R)-3-hydroxybutanoyl-CoA (R)-3-hydroxybutanoyl-CoA 3-Hydroxybutyryl-CoA 3-OH-butyryl-CoA 3-hydroxybutanoyl-CoA 3-hydroxybutyryl-CoA 3hc4coa D-3-hydroxybutyryl-CoA M_3_Hydroxybutyryl_CoA OH-butyryl-CoA beta-hydroxybutyryl-CoA beta-hydroxybutyryl-S-CoA hydroxy-butyryl-CoA
chebi:10879 chebi:10984 chebi:18667 chebi:323 biggM:M_3hbcoa__R keggC:M_C03561 seedM:M_cpd02234 seedM:M_cpd03043	secondary/obsolete/fantasy identifier