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malonyl-CoA

MNXM40 is deprecated and here replaced by MNXM1106093
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106093

	#reac
in my sandbox	0
in MNXref (generic)	712
in models (compartimentalized)	286

formula

C₂₄H₃₃N₇O₁₉P₃S

charge

-5

mass

848.07922

reference

chebi:57384

InChIKey

LTYOQGRJFJAKNA-DVVLENMVSA-I

InChI

InChI=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

SMILES

CC(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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57384 chebi:57384	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	Malonyl CoA
SLM:000000274 slm:000000274	Malonyl-CoA
hmdb:HMDB0001175	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	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	Malonyl-CoA Malonyl coenzyme A
seed.compound:cpd00070 seedM:cpd00070	Malonyl-CoA Malonyl coenzyme A malcoa malonyl coenzyme A malonyl-CoA malonylCoenzyme A
reactome:R-ALL-2046066 reactomeM:R-ALL-2046066 reactome:R-ALL-29508 reactomeM:R-ALL-29508 reactome:R-ALL-977323 reactomeM:R-ALL-977323 CHEBI:15531 chebi:15531	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	malonyl-CoA malonyl coenzyme A
hmdb:HMDB01175 chebi:14565 chebi:25135 chebi:43979 chebi:6661 biggM:M_malcoa keggC:M_C00083 seedM:M_cpd00070	secondary/obsolete/fantasy identifier