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(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104693

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	6

formula

C₂₆H₄₀N₇O₁₈P₃S

charge

-4

mass

863.13853

reference

chebi:57312

InChIKey

PEKYNTFSOBAABV-LQUDNSJZSA-J

InChI

InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14-,15+,18+,19+,20-,24+/m0/s1

SMILES

C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57312 chebi:57312	(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA tetraanion (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
sabiork.compound:7288 sabiorkM:7288 kegg.compound:C04405 keggC:C04405	(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA (S)-3-Hydroxy-2-methylbutyryl-CoA
reactome:R-ALL-70829 reactomeM:R-ALL-70829 CHEBI:15449 chebi:15449	(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A (S)-3-Hydroxy-2-methylbutyryl-CoA (S,S)-3-hydroxy-2-methylbutanoyl-coenzyme A (S,S)-3-hydroxy-2-methylbutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050109 lipidmapsM:LMFA07050109	(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A (S,S)-3-hydroxy-2-methylbutanoyl-coenzyme A (S,S)-3-hydroxy-2-methylbutyryl-coenzyme A 3S-hydroxy-2S-methylbutanoyl-CoA CoA 5:0 O
metacyc.compound:2-METHYL-3-HYDROXY-BUTYRYL-COA metacycM:2-METHYL-3-HYDROXY-BUTYRYL-COA	(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutyryl-CoA (S)-3-hydroxy-2-methylbutyryl-CoA 2-methyl-3-hydroxybutyryl-CoA 3-hydroxy-2-methylbutyryl-CoA
bigg.metabolite:3hmbcoa biggM:3hmbcoa	(S)-3-Hydroxy-2-methylbutyryl-CoA
seed.compound:cpd02691 seedM:cpd02691	2-methyl-3-hydroxy-butyryl-CoA (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (2S,3S)-3-hydroxy-2-methylbutyryl-CoA (S)-3-Hydroxy-2-methylbutyryl-CoA (S)-3-hydroxy-2-methylbutyryl-CoA 2-methyl-3-hydroxybutyryl-CoA 3-Hydroxy-2-methyl-butyryl-CoA 3-hydroxy-2-methylbutyryl-CoA 3hmbcoa M_3_Hydroxy_2_methyl_butyryl_CoA
chebi:10871 chebi:18552 chebi:18553 chebi:191 biggM:M_3hmbcoa keggC:M_C04405 seedM:M_cpd02691	secondary/obsolete/fantasy identifier