skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > (25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > (25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > (25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)
... > 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 > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > (25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > steroidal acyl-coa(4-) > (25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)

Preferred term

(25s)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C48H76N7O20P3S

inchi

  • InChI=1S/C48H80N7O20P3S/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/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1

inchikey

  • MNYDLIUNNOCPHG-SEGQUPMDSA-J

is_conjugate_base_of

mass

  • 1196.14000

monoisotopicmass

  • 1195.41006

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate}

synonym RELATED

  • (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
  • (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coenzyme A(4-)
  • (25S)-THCA-CoA(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77251

Download this concept:

RDF/XML TURTLE JSON-LD