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Lauroyl-coenzyme A

CAT: 0931-T32598Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32598Size:25 mg
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CAS Number
6244-92-4
Target
Others
Related Pathways
Others
Bioactivity
Lauroyl-coenzyme A can function as an acyl group carrier, acetyl-CoA. It can be used as an intermediate in lipid metabolism and is involved in lipid biosynthesis and fatty acid transport.
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(CCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Molecular Formula
C33H58N7O17P3S
Molecular Weight
949.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

lauroyl-CoA

Lauroyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a saturated fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a dodecanoic acid. It is a conjugate acid of a lauroyl-CoA(4-).

CAS Number6244-92-4
PubChem CID165436
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] dodecanethioate
Molecular FormulaC33H58N7O17P3S
Molecular Weight949.8
XLogP-0.5
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count30
Heavy Atom Count61
Formal Charge0
Complexity1550
SMILES
CCCCCCCCCCCC(=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/C33H58N7O17P3S/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/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1
InChIKey
YMCXGHLSVALICC-GMHMEAMDSA-N
Chemical Structure
2D Structure
2D structure of lauroyl-CoA
CAS: 6244-92-4
CID: 165436
Formula: C33H58N7O17P3S
MW: 949.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight949.8
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count30
Exact Mass949.28227557
Monoisotopic Mass949.28227557
Topological Polar Surface Area389 Ų
Heavy Atom Count61
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes