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Concept information

... > organooxygen compound > carbonyl compound > thioester > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic aromatic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic heterocyclic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide derivative > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-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 > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic aromatic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa
... > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > aminopurine > 6-aminopurines > acyl-coa > steroidal acyl-coa > 3beta-hydroxychola-5,20(22)-dien-24-oyl-coa

Preferred term

3beta-hydroxychola-5,20(22)-dien-24-oyl-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C45H70N7O18P3S

inchi

  • InChI=1S/C45H70N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h6-7,23-24,27-32,36-38,42,53,56-57H,8-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t27-,28-,29+,30-,31-,32+,36+,37+,38-,42+,44-,45+/m0/s1

inchikey

  • ZTEBZYXUIBDLIU-FNDKWMRISA-N

is_conjugate_acid_of

mass

  • 1122.06000

monoisotopicmass

  • 1121.37109

smiles

  • CC(=CCC(=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@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3beta-hydroxychola-5,20(22)-dien-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

synonym RELATED

  • 3beta-hydroxychola-5,20(22)-dien-24-oyl-coenzyme A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86296

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