2-methylbut-2-enoyl-coenzyme A (Q27108896)

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chemical compound

2-methylcrotonoyl-CoA
2-methylcrotonyl-CoA
Methylcrotonyl-coa
alpha-methylcrotonoyl-coenzyme A
alpha-methylcrotonoyl-CoA
2-methylcrotonoyl-coenzyme A
2-methylbut-2-enol-coenzyme A
2-methylcrotonyl-coenzyme A

Language	Label	Description	Also known as
English	2-methylbut-2-enoyl-coenzyme A	chemical compound	2-methylcrotonoyl-CoA 2-methylcrotonyl-CoA Methylcrotonyl-coa alpha-methylcrotonoyl-coenzyme A alpha-methylcrotonoyl-CoA 2-methylcrotonoyl-coenzyme A 2-methylbut-2-enol-coenzyme A 2-methylcrotonyl-coenzyme A

Statements

type of chemical entity

0 references

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylbut-2-enethioate

1 reference

based on heuristic

inferred from InChIKey

849.157043±0 dalton

1 reference

language of work or name

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

5 October 2016

chemical formula

C₂₆H₄₂N₇O₁₇P₃S

0 references

canonical SMILES

CC=C(C)C(=O)SCCN=C(CCN=C(C(C(C)(C)COP(O)(=O)OP(O)(=O)OCC1(C(C(C(N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

2-methylbut-2-enoyl-coenzyme A (English)

5 October 2016

isomeric SMILES

CC=C(C)C(=O)SCCN=C(CCN=C([C@@](C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([C@]([C@]([C@](N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

2-methylbut-2-enoyl-coenzyme A (English)

5 October 2016

Identifiers

InChI=1S/C26H42N7O17P3S/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/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1

1 reference

language of work or name

2-methylbut-2-enoyl-coenzyme A (English)

5 October 2016

PMWATMXOQQZNBX-DJVIHCHSSA-N

2 references

language of work or name

2-methylbut-2-enoyl-coenzyme A (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

5 October 2016

2 references

26 December 2021

matched by identifier from

PMWATMXOQQZNBX-DJVIHCHSSA-N

mapping relation type

2 references

language of work or name

2-methylbut-2-enoyl-coenzyme A (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C26H42N7O17P3S/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/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1

UniChem compound ID

1 reference

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