1.0
2011-09-21 00:14:22 UTC
2015-07-21 06:57:13 UTC
FDB022460
3-Hydroxybutyryl-CoA
3-Hydroxybutyryl-CoA is a substrate for Enoyl-CoA hydratase (mitochondrial), Trifunctional enzyme alpha subunit (mitochondrial) and Peroxisomal bifunctional enzyme. [HMDB]
(3R)-3-Hydroxybutanoyl-CoA
(3R)-3-Hydroxybutanoyl-Coenzyme A
(R)-3-Hydroxybutanoyl-CoA
(R)-3-Hydroxybutanoyl-Coenzyme A
(S)-3-hydroxybutanoyl-CoA
(S)-3-hydroxybutanoyl-Coenzyme A
3-hydroxybutanoyl-CoA
3-hydroxybutanoyl-coenzyme a
3-hydroxybutyryl-CoA
3-hydroxybutyryl-coenzyme A
3-OH-butyryl-CoA
3-OH-butyryl-Coenzyme A
beta-hydroxybutyryl-CoA
beta-hydroxybutyryl-Coenzyme A
beta-hydroxybutyryl-S-CoA
beta-hydroxybutyryl-S-Coenzyme A
hydroxy-butyryl-CoA
hydroxy-butyryl-Coenzyme A
C25H42N7O18P3S
853.623
853.151987801
2871-66-1
C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
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)/t13-,14-,18-,19-,20?,24-/m1/s1
QHHKKMYHDBRONY-JYMPOPDUSA-N
Solid
average_mass
853.623
mono_mass
853.151987801
smiles
C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
formula
C25H42N7O18P3S
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)/t13-,14-,18-,19-,20?,24-/m1/s1
inchikey
QHHKKMYHDBRONY-JYMPOPDUSA-N
Butyrate Metabolism
SMP00073
map00650
Fatty acid Metabolism
SMP00051
map00071
Lysine Degradation
SMP00037
map00310
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids
SMP00480
Specdb::MsMs
182880
Specdb::MsMs
182881
Specdb::MsMs
182882
Specdb::MsMs
183228
Specdb::MsMs
183229
Specdb::MsMs
183230
Specdb::NmrOneD
253548
Specdb::NmrOneD
253549
Specdb::NmrOneD
253550
Specdb::NmrOneD
253551
Specdb::NmrOneD
253552
Specdb::NmrOneD
253553
Specdb::NmrOneD
253554
Specdb::NmrOneD
253555
Specdb::NmrOneD
253556
Specdb::NmrOneD
253557
Specdb::NmrOneD
253558
Specdb::NmrOneD
253559
Specdb::NmrOneD
253560
Specdb::NmrOneD
253561
Specdb::NmrOneD
253562
Specdb::NmrOneD
253563
Specdb::NmrOneD
253564
Specdb::NmrOneD
253565
Specdb::NmrOneD
253566
Specdb::NmrOneD
253567
HMDB01166
15452
#<Reference:0x0000555675a84488>
#<Reference:0x0000555675a84258>
#<Reference:0x0000555675a84028>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Enoyl-CoA hydratase, mitochondrial
P30084
ECHS1