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... > organooxygen compound > carbonyl compound > thioester > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic aromatic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic heterocyclic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-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 > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic aromatic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa
... > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa > (24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa

Preferred term

(24e)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C48H78N7O20P3S

has_role

inchi

  • InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9+/t25-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1

inchikey

  • QVDPWQVOSKJUES-JMOYVIBVSA-N

is_conjugate_acid_of

mass

  • 1198.15400

monoisotopicmass

  • 1197.42352

smiles

  • [H][C@@](C)(CC/C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52432

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