Trans-Crotonyl CoA

CAT: 0931-TYD-04536-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-04536-01Size:10 mg

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CAS Number

38795-21-0

Target

Others

Related Pathways

Others

Bioactivity

Trans-Crotonyl CoA (trans-Crotonyl coenzyme A) is a derivative of coenzyme A.

Smiles

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(/C=C/C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Molecular Formula

C25H40N7O17P3S

Molecular Weight

835.61

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

crotonoyl-CoA

Crotonoyl-CoA is the (E)-isomer of but-2-enoyl-CoA. It is functionally related to a crotonic acid. It is a conjugate acid of a crotonoyl-CoA(4-).

CAS Number	38795-21-0
PubChem CID	5497143
IUPAC Name	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-but-2-enethioate
Molecular Formula	C25H40N7O17P3S
Molecular Weight	835.6
XLogP	-4.8
Topological Polar Surface Area	389
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	21
Heavy Atom Count	53
Formal Charge	0
Complexity	1460

SMILES

C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

InChI

InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1

InChIKey

KFWWCMJSYSSPSK-PAXLJYGASA-N

Chemical Structure

2D Structure

CAS: 38795-21-0

CID: 5497143

Formula: C25H40N7O17P3S

MW: 835.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	835.6
XLogP3	-4.8
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	21
Exact Mass	835.14142500
Monoisotopic Mass	835.14142500
Topological Polar Surface Area	389 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T74171-01	Crotonyl-CoA
T201796-01	Crotonyl-CoA tetrasodium
TYD-04341-01	Trans-Geranyl-CoA
TYD-04391-01	Trans-Feruloyl-CoA
TXB-00767-01	2-trans-4-trans-Decadienoyl-CoA
TYD-02163-01	2-trans,4-trans-Octadienoyl-CoA
TXB-00703-01	2-trans-Eicosenoyl-CoA
TYD-04624-01	Trans-2-Tetracosenoyl-CoA
TYD-04457-01	Trans-2-Dodecenedioyl-CoA
TYD-04415-01	Trans-2-Docosenoyl-CoA

Alternative Products

Catalog	Name
HY-CE01902	Trans-Crotonyl CoA
C26750-01	Crotonyl chloride cis/trans mixture 95%
FC31880-01	Crotonyl alcohol
AAA99267-01	Crotonyl coenzyme A
KAA48771	Crotonyl chloride
OR1022024	Crotonyl isothiocyanate
GTR19221449-01	Crotonyl-CoA
TRC-C818845-5MG	Crotonyl Fentanyl
YP-W22954-01	Mouse crotonyl-CoA (crotonyl-CoA) ELISA Kit
YP-W38107-01	Rat crotonyl-CoA (crotonyl-CoA) ELISA Kit

Trans-Crotonyl CoA

Chemical Information

Related Products

Alternative Products

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