Search MNXref
 Feedback

lactoyl-CoA

MNXM11282 is deprecated and here replaced by MNXM726793
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726793 Image of MNXM726793
referencechebi:15529
formulaC24H40N7O18P3S
global charge0
mol weight839.604
InChIKeyVIWKEBOLLIEAIL-FBMOWMAESA-N
InChIInChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1
SMILESCC(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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)(O)O
MNX internals
InChI (mnx)InChI=1/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1 Image of MNXM726793
SMILES (mnx)[CH3:1][CH:12]([C:23](=[O:37])[S:53][CH2:7][CH2:6][N:26]=[C:14]([CH2:4][CH2:5][N:27]=[C:21]([C@@H:18]([C:24]([CH3:2])([CH3:3])[CH2:9][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:8][C@@H:13]1[C@@H:17]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:16]([OH:34])[C@H:22]([N:31]2[CH:11]=[N:30][C:15]3=[C:19]([NH2:25])[N:28]=[CH:10][N:29]=[C:20]32)[O:47]1)[OH:35])[OH:36])[OH:33])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15529
chebi:15529
VIWKEBOLLIEAIL-FBMOWMAESA-N 		lactoyl-CoA
2-hydroxypropanoyl CoA
2-hydroxypropanoyl coenzyme A
2-hydroxypropionyl CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Lactoyl-CoA
S-(2-hydroxypropanoyl)coenzyme A
alpha-hydroxypropanoyl CoA
alpha-hydroxypropanoyl coenzyme A
alpha-hydroxypropionyl CoA
alpha-hydroxypropionyl coenzyme A

kegg.compound:C00827
keggC:C00827
VIWKEBOLLIEAIL-FBMOWMAESA-N 		Lactoyl-CoA

seed.compound:cpd27396
seedM:cpd27396
VIWKEBOLLIEAIL-FBMOWMAESA-J 		Lactoyl-CoAs

vmhM:laccoa
vmhmetabolite:laccoa
VIWKEBOLLIEAIL-FBMOWMAESA-J 		Lactoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]
hmdb:HMDB0002346
VIWKEBOLLIEAIL-FBMOWMAESA-N 		Lactyl-CoA
2-Hydroxypropanoyl CoA
2-Hydroxypropanoyl coenzyme A
2-Hydroxypropionyl CoA
Lactoyl-CoA
Lactoyl-coenzyme A
S-(2-Hydroxypropanoate
S-(2-Hydroxypropanoate)coenzyme A
S-(2-Hydroxypropanoic acid
S-(2-Hydroxypropanoyl)coenzyme A
a-Hydroxypropanoyl CoA
a-Hydroxypropanoyl coenzyme A
a-Hydroxypropionyl CoA
a-Hydroxypropionyl coenzyme A
alpha-Hydroxypropanoyl CoA
alpha-Hydroxypropanoyl coenzyme A
alpha-Hydroxypropionyl CoA
alpha-Hydroxypropionyl coenzyme A
alpha-hydroxypropanoyl CoA
alpha-hydroxypropanoyl coenzyme A
alpha-hydroxypropionyl CoA
alpha-hydroxypropionyl coenzyme A
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

lipidmaps:LMFA07050339
lipidmapsM:LMFA07050339
VIWKEBOLLIEAIL-FBMOWMAESA-N 		Lactyl-CoA
CoA 3:0
O
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

metacyc.compound:Lactoyl-CoAs
metacycM:Lactoyl-CoAs
VIWKEBOLLIEAIL-FBMOWMAESA-J 		lactoyl-CoA

CHEBI:57382
chebi:57382
VIWKEBOLLIEAIL-FBMOWMAESA-J 		lactoyl-CoA
2-hydroxypropanoyl CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
alpha-hydroxypropanoyl CoA(4-)
lactoyl-CoA tetraanion
lactoyl-CoA(4-)
lactoyl-coenzyme A(4-)

hmdb:HMDB02346
chebi:14499
chebi:25008
chebi:6356
keggC:M_C00827
seedM:M_cpd27396
vmhM:M_laccoa 		secondary/obsolete/fantasy identifier