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3-methyl-(2E)-butenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104459

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	19

formula

C₂₆H₃₈N₇O₁₇P₃S

charge

-4

mass

845.12797

reference

chebi:57344

InChIKey

BXIPALATIYNHJN-ZMHDXICWSA-J

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/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1

SMILES

CC(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:57344 chebi:57344	3-methyl-(2E)-butenoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate} 3-methylbut-2-enoyl-CoA tetraanion 3-methylbut-2-enoyl-CoA(4-) 3-methylbut-2-enoyl-coenzyme A(4-)
bigg.metabolite:3mb2coa biggM:3mb2coa	3-Methylbut-2-enoyl-CoA
sabiork.compound:2652 sabiorkM:2652	3-Methylcrotonyl-CoA 3-Methylbut-2-enoyl-CoA 3-Methylcrotonoyl-CoA
kegg.compound:C03069 keggC:C03069	3-Methylcrotonyl-CoA 3-Methylbut-2-enoyl-CoA 3-Methylcrotonoyl-CoA Dimethylacryloyl-CoA
reactome:R-ALL-70744 reactomeM:R-ALL-70744 CHEBI:15486 chebi:15486	3-methylbut-2-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 3,3-dimethacrylyl-CoA 3,3-dimethacrylyl-coenzyme A 3-Methylbut-2-enoyl-CoA 3-Methylcrotonoyl-CoA 3-Methylcrotonyl-CoA DMA-CoA Dimethylacryloyl-CoA S-(3-Methyl-crotonoyl)-coenzym-A S-(3-methylcrotonoyl)-coenzyme-A beta,beta-dimethacrylyl-CoA beta,beta-dimethacrylyl-coenzyme A
lipidmaps:LMFA07050232 lipidmapsM:LMFA07050232	3-methylbut-2-enoyl-CoA 3,3-dimethacrylyl-CoA 3,3-dimethacrylyl-coenzyme A 3-methyl-2-butenoyl-CoA CoA 5:1 DMA-CoA S-(3-Methyl-crotonoyl)-coenzym-A S-(3-methylcrotonoyl)-coenzyme-A beta,beta-dimethacrylyl-CoA beta,beta-dimethacrylyl-coenzyme A
metacyc.compound:3-METHYL-CROTONYL-COA metacycM:3-METHYL-CROTONYL-COA	3-methylcrotonyl-CoA 3-methyl-2-butenoyl-CoA 3-methylbut-2-enoyl-CoA beta-methylcrotonoyl-CoA
seed.compound:cpd01966 seedM:cpd01966	Dimethylacryloyl-CoA 3-Methylbut-2-enoyl-CoA 3-Methylcrotonoyl-CoA 3-Methylcrotonyl-CoA 3-methylbut-2-enoyl-CoA 3-methylcrotonyl-CoA 3mb2coa beta-methylcrotonoyl-CoA
chebi:11853 chebi:11858 chebi:1599 chebi:20128 chebi:23802 chebi:4615 biggM:M_3mb2coa keggC:M_C03069 seedM:M_cpd01966	secondary/obsolete/fantasy identifier