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(S)-malyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM730062

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	4

formula

C₂₅H₃₅N₇O₂₀P₃S

charge

-5

mass

878.08979

reference

chebi:57317

InChIKey

HJQWLHMLMCDAEL-ZTGLTYRUSA-I

InChI

InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/p-5/t12-,13+,17+,18+,19-,23+/m0/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)C[C@H](O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57317 chebi:57317	(S)-malyl-CoA (3S)-3-carboxy-3-hydroxypropanoyl-CoA pentaanion (3S)-3-carboxy-3-hydroxypropanoyl-CoA(5-) (3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A(5-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxylato-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
CHEBI:15454 chebi:15454	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (3S)-3-Carboxy-3-hydroxypropanoyl-CoA (3S)-3-Carboxy-3-hydroxypropionyl-CoA (3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A (3S)-3-carboxy-3-hydroxypropionyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} L-Malyl-CoA Malyl-CoA
lipidmaps:LMFA07050115 lipidmapsM:LMFA07050115	(3S)-3-carboxy-3-hydroxypropanoyl-CoA (3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A (3S)-3-carboxy-3-hydroxypropionyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 4:1 O3
metacyc.compound:CPD-208 metacycM:CPD-208	(S)-malyl-CoA (2S)-4-malyl-CoA (2S)-malyl-CoA (3S)-3-carboxy-3-hydroxypropanoyl-CoA (3S)-3-carboxy-3-hydroxypropionyl-CoA L-malyl-CoA
sabiork.compound:2713 sabiorkM:2713	L-Malyl-CoA (3S)-3-Carboxy-3-hydroxypropanoyl-CoA (3S)-3-Carboxy-3-hydroxypropionyl-CoA (3S)-Malyl-CoA (S)-Malyl-CoA
kegg.compound:C04348 keggC:C04348	L-Malyl-CoA (3S)-3-Carboxy-3-hydroxypropanoyl-CoA (3S)-3-Carboxy-3-hydroxypropionyl-CoA (S)-Malyl-CoA Malyl-CoA
sabiork.compound:3934 sabiorkM:3934	Malyl-CoA
seed.compound:cpd02662 seedM:cpd02662	Malyl-CoA (2S)-4-malyl-CoA (2S)-malyl-CoA (3S)-3-Carboxy-3-hydroxypropanoyl-CoA (3S)-3-Carboxy-3-hydroxypropionyl-CoA (3S)-3-carboxy-3-hydroxypropanoyl-CoA (3S)-3-carboxy-3-hydroxypropionyl-CoA (S)-Malyl-CoA (S)-malyl-CoA L-Malyl-CoA L-malyl-CoA malyl-CoA malylcoa
chebi:10886 chebi:14572 chebi:18565 chebi:207 keggC:M_C04348 seedM:M_cpd02662	secondary/obsolete/fantasy identifier