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(R)-2-methylbutanoyl-CoA(4-)

PropertiesImage
MNX_IDMNXM1584012 Image of MNXM1584012
referencechebi:156439
formulaC26H40N7O17P3S
global charge-4
mol weight847.627
InChIKeyLYNVNYDEQMMNMZ-KPOKFQMXSA-J
InChIInChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,15-,18-,19-,20+,24-/m1/s1
SMILESCC[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-]
MNX internals
InChI (mnx)InChI=1/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15-,18-,19-,20+,24-/m1/s1 Image of MNXM1584012
SMILES (mnx)[CH3:1][CH2:5][C@@H:14]([CH3:2])[C:25](=[O:38])[S:54][CH2:9][CH2:8][NH:28][C:16]([CH2:6][CH2:7][NH:29][C:23]([C@@H:20]([C:26]([CH3:3])([CH3:4])[CH2:11][O:47][P:53](=[O:44])([OH:45])[O:50][P:52](=[O:42])([OH:43])[O:46][CH2:10][C@@H:15]1[C@@H:19]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:18]([OH:35])[C@H:24]([n:33]2[cH:13][n:32][c:17]3[c:21]([NH2:27])[n:30][cH:12][n:31][c:22]32)[O:48]1)[OH:36])=[O:37])=[O:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-70718
CHEBI:156439
chebi:156439
LYNVNYDEQMMNMZ-KPOKFQMXSA-J 		(R)-2-methylbutanoyl-CoA(4-)
(2R)-2-methylbutanoyl-CoA

vmhM:but2mtcoa
vmhM:but2mtcoa
vmhmetabolite:but2mtcoa
vmhmetabolite:but2mtcoa
LYNVNYDEQMMNMZ-KPOKFQMXSA-J 		(R)2-methylbutyrylCoA
(S)-2-Methylbutanoyl-coenzyme A
(S)-2-Methylbutyryl-CoA
(S)-2-Methylbutyryl-coenzyme A
2-Methylbutyryl CoA
2-Methylbutyryl-CoA
2-Methylbutyryl-coenzyme A
Cellular membrane
Cytoplasma
Digestion
Extracellular region
Fauna
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Signal transduction
Surface-active agent
alpha-Methylbutyryl CoA
alpha-Methylbutyryl coenzyme A

vmhM:2mbcoa
vmhM:2mbcoa
vmhM:R_2mbcoa
vmhM:R_2mbcoa
vmhM:M_but2mtcoa 		secondary/obsolete/fantasy identifier