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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > thioester > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > non-proteinogenic amino acid derivative > beta-alanine derivative > pantothenic acids > pantetheines > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > pantothenic acids > pantetheines > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > organooxygen compound > carboxamide > pantothenic acids > pantetheines > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > pantothenic acids > pantetheines > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > 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 > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphoric ester > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > organooxygen compound > ester > phosphoric ester > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > 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 > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > 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 > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > amidoalkyl phosphate > phosphopantetheine > s-acyl-4'-phosphopantetheine > s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine

Preferred term

s-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine  

Type

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

Broader concept

charge

  • 0

formula

  • C38H67N2O11PS

has_functional_parent

has_role

inchi

  • InChI=1S/C38H67N2O11PS/c1-22(26-10-11-27-32-28(20-30(43)38(26,27)6)37(5)14-12-25(41)18-24(37)19-29(32)42)8-7-9-23(2)35(47)53-17-16-39-31(44)13-15-40-34(46)33(45)36(3,4)21-51-52(48,49)50/h22-30,32-33,41-43,45H,7-21H2,1-6H3,(H,39,44)(H,40,46)(H2,48,49,50)/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1

inchikey

  • FIWSQOCVKNESKS-JWGNTNLOSA-N

is_conjugate_acid_of

mass

  • 790.987

monoisotopicmass

  • 790.42032

smiles

  • C(SCCNC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)(=O)C(CCC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@](C[C@@H]2O)([C@@]4([C@@](C[C@@H](CC4)O)(C[C@H]3O)[H])C)[H])[H])(CC1)[H])C)[H])C)C

subset

  • 3_STAR

synonym EXACT

  • S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestane-26-thioate

synonym RELATED

  • 3,7,12-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-4'-phosphopantetheine
  • S-(3,7,12-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine
  • S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-D-pantetheine 4'-phosphate
  • S-trihydroxycoprostanoyl-4'-phosphopantetheine
  • trihydroxycoprostanoyl-4'-phosphopantetheine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132322

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