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malonyl-CoA

PropertiesImage
MNX_IDMNXM1106093 Image of MNXM1106093
referencechebi:57384
formulaC24H33N7O19P3S
global charge-5
mol weight848.547
InChIKeyLTYOQGRJFJAKNA-DVVLENMVSA-I
InChIInChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-5/t12-,17-,18-,19+,23-/m1/s1
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 Image of MNXM1106093
SMILES (mnx)[C@@H:1]1([O:38]2[O:39]3=[O:41]([O:43]=[O:40]2)[O:44]([OH:47])=[O:46][O:45]=[O:42]3)[CH2:2][C@@H:4]([O:32][NH:25][N:31]([CH2:24][N:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:50]([O:49][PH:53](=[PH:52])[SH:54])=[PH:51])=[CH2:11])=[CH2:15])[CH3:22])(=[NH:26])[NH2:27])(=[NH:28])[NH2:29])[C@H:5]([O:33][O:36]([OH:34])([OH:35])=[O:37])[C@@H:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)829
in models (compartimentalized) 251
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2046066
reactomeM:R-ALL-2046066
reactome:R-ALL-29508
reactomeM:R-ALL-29508
reactome:R-ALL-977314
reactomeM:R-ALL-977314
reactome:R-ALL-977323
reactomeM:R-ALL-977323
CHEBI:57384
chebi:57384
LTYOQGRJFJAKNA-DVVLENMVSA-I 		malonyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
malonyl-CoA(5-)

bigg.metabolite:malcoa
biggM:malcoa
LTYOQGRJFJAKNA-DVVLENMVSA-I 		Malonyl CoA

SLM:000000274
slm:000000274
LTYOQGRJFJAKNA-DVVLENMVSA-I 		Malonyl-CoA

vmhM:malcoa
vmhM:malcoa
vmhmetabolite:malcoa
vmhmetabolite:malcoa
LTYOQGRJFJAKNA-DVVLENMVSA-I 		Malonyl-CoA
3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-meth
hmdb:HMDB0001175
LTYOQGRJFJAKNA-DVVLENMVSA-N 		Malonyl-CoA
3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-oxopropanoic acid
CoA, Malonyl
Malonyl CoA
Malonyl coenzyme A
S-(Hydrogen malonyl)coenzyme A
coenzyme A, Malonyl
coenzyme A, S-(Hydrogen propanedioate)
coenzyme A, S-(Hydrogen propanedioic acid)
malonyl-coa

lipidmaps:LMFA07050345
lipidmapsM:LMFA07050345
LTYOQGRJFJAKNA-DVVLENMVSA-N 		Malonyl-CoA
CoA 3:1
Coenzyme A, S-(hydrogen propanedioate)
Malonyl CoA
O2
S-(Hydrogen malonyl)coenzyme A

sabiork.compound:1930
sabiorkM:1930
kegg.compound:C00083
keggC:C00083
LTYOQGRJFJAKNA-DVVLENMVSA-N 		Malonyl-CoA
Malonyl coenzyme A

seed.compound:cpd00070
seedM:cpd00070
LTYOQGRJFJAKNA-DVVLENMVSA-I 		Malonyl-CoA
Malonyl coenzyme A
malcoa
malonyl coenzyme A
malonyl-CoA
malonylCoenzyme A

CHEBI:15531
chebi:15531
LTYOQGRJFJAKNA-DVVLENMVSA-N 		malonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Coenzyme A, S-(hydrogen propanedioate)
Malonyl coenzyme A
Malonyl-CoA
S-(Hydrogen malonyl)coenzyme A

metacyc.compound:MALONYL-COA
metacycM:MALONYL-COA
LTYOQGRJFJAKNA-DVVLENMVSA-I 		malonyl-CoA
MalCoA
malonyl coenzyme A

hmdb:HMDB01175
chebi:14565
chebi:25135
chebi:43979
chebi:6661
biggM:M_malcoa
keggC:M_C00083
seedM:M_cpd00070
vmhM:M_malcoa 		secondary/obsolete/fantasy identifier