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3-methylbut-3-enoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM36632

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₄₂N₇O₁₇P₃S

charge

mass

849.15707

reference

chebi:28188

InChIKey

JBMJJWIKMZYESJ-ZMHDXICWSA-N

InChI

InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,36-37H,1,5-11H2,2-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1

SMILES

C=C(C)CC(=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:28188 chebi:28188	3-methylbut-3-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 3-Methyl-vinylacetyl-CoA 3-methyl-vinylacetyl-coenzyme A 3-methylbut-3-enoyl-coenzyme A
seed.compound:cpd02191 seedM:cpd02191 kegg.compound:C03466 keggC:C03466	3-Methyl-vinylacetyl-CoA
sabiork.compound:6646 sabiorkM:6646	3-Methyl-vinylacetyl-CoA 3-Methylvinylacetyl-CoA
lipidmaps:LMFA07050233 lipidmapsM:LMFA07050233	3-methylbut-3-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 3-methyl-vinylacetyl-coenzyme A 3-methylbut-3-enoyl-coenzyme A CoA 5:1
metacyc.compound:CPD-22140 metacycM:CPD-22140	3-methylvinylacetyl-CoA 3-methyl-3-butenoyl-CoA 3-methyl-but-3-enoyl-CoA
chebi:1589 chebi:20120 keggC:M_C03466 seedM:M_cpd02191	secondary/obsolete/fantasy identifier