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(5Z) -Dodecenoyl-CoA

CAT: 0013-GTR19253732-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253732-01Size:10 mg
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Description
(5Z) -Dodecenoyl-CoA ((5Z) -Dodecenoyl-coenzyme A) is a derivative of coenzyme A.
CAS Number
148329-84-4
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 (CCC/C=C\CCCCCC) =O) =O) =O) O) (C) C) (=O) O) (=O) O) [C@H]1OP (=O) (O) O
Molecular Formula
C33H56N7O17P3S
Molecular Weight
947.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5Z)-dodecenoyl-CoA
CAS Number148329-84-4
PubChem CID122706515
IUPAC NameS-[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] (Z)-dodec-5-enethioate
Molecular FormulaC33H56N7O17P3S
Molecular Weight947.8
XLogP-1.4
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count29
Heavy Atom Count61
Formal Charge0
Complexity1600
SMILES
CCCCCC/C=C\CCCC(=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/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b10-9-/t22-,26-,27-,28+,32-/m1/s1
InChIKey
RCVJZGBRLGUTKT-CGGPSVLLSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-dodecenoyl-CoA
CAS: 148329-84-4
CID: 122706515
Formula: C33H56N7O17P3S
MW: 947.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight947.8
XLogP3-1.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count29
Exact Mass947.26662551
Monoisotopic Mass947.26662551
Topological Polar Surface Area389 Ų
Heavy Atom Count61
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-CE00294(5Z) -Dodecenoyl-CoA
HY-CE011763-Oxo-5Z-dodecenoyl-CoA
TXB-00622-01(S) -3-Hydroxy-5Z-dodecenoyl-CoA
TYD-02316-01(5Z) -Icosenoyl-CoA
TYD-02451-01(5Z,11E) -Octadecadienoyl-CoA
HY-CE00277(5Z) -3-Oxotetradecenoyl-CoA
HY-CE00146(2E,5Z) -Dodecadieonyl-CoA
HY-CE00220A(2E,5Z) -Octadienoyl-CoA
HY-CE00143C(2E,5Z) -Tetradecadienoyl-CoA
HY-CE00125(3E,5Z) -Tetradecadienoyl-CoA

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