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4-Coumaroyl-CoA

4-Coumaroyl-CoA

  • CAT Number: M022812
  • CAS Number: 119785-99-8
  • PubChem Substance ID: 6440013
  • Molecular Formula: C30H42N7O18P3S
  • Molecular Weight: 913.678
  • Purity: ≥95%
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<p>
<span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">4-Coumaroyl-CoA (CAS&nbsp;119785-99-8)&nbsp;is a chemical compound found in plants. The compound is the thioester of coenzyme-A and coumaric acid.</span></span></p>

Catalog Number M022812
CAS Number 119785-99-8
Molecular Formula

C30H42N7O18P3S

Purity 95%
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)-3-(4-hydroxyphenyl)prop-2-enethioate
InChI InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25+,29-/m1/s1
InChIKey DMZOKBALNZWDKI-MATMFAIHSA-N
SMILES CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O
Reference

<p>
<span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">1.Vogt, Thomas. &quot;Phenylpropanoid biosynthesis.&quot;&nbsp;<i style="font-family: Arial, sans-serif; font-size: 13px;">Molecular plant</i>&nbsp;3.1 (2010): 2-20.</span></span></p>

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