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Chemistry, part 1

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Concept information

... > organooxygen compound > carbonyl compound > thioester > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > secondary carboxamide > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > secondary carboxamide > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > phosphoric ester > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphoric ester > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic aromatic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic heterocyclic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic aromatic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa
... > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > caffeoyl-coa > trans-caffeoyl-coa

Preferred term

trans-caffeoyl-coa  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C30H42N7O19P3S

has_functional_parent

inchi

  • InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25+,29-/m1/s1

inchikey

  • QHRGJMIMHCLHRG-ZSELIEHESA-N

is_conjugate_acid_of

mass

  • 929.67600

monoisotopicmass

  • 929.14690

smiles

  • CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(O)c(O)c1

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2E)-(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

synonym RELATED

  • (E)-3,4-dihydroxycinnamoyl-CoA
  • (E)-3,4-dihydroxycinnamoyl-coenzyme A
  • (E)-caffeoyl-CoA
  • (E)-caffeoyl-coenzyme A
  • trans-3,4-dihydroxycinnamoyl-CoA
  • trans-3,4-dihydroxycinnamoyl-coenzyme A
  • trans-caffeoyl-coenzyme A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87449

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