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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > 3-hydroxy fatty acyl-coa(4-) > (s)-3-hydroxyacyl-coa(4-) > (3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > 3-hydroxy fatty acyl-coa(4-) > (s)-3-hydroxyacyl-coa(4-) > (3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-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-) > fatty acyl-coa(4-) > 3-hydroxy fatty acyl-coa(4-) > (s)-3-hydroxyacyl-coa(4-) > (3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-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-) > fatty acyl-coa(4-) > 3-hydroxy fatty acyl-coa(4-) > (s)-3-hydroxyacyl-coa(4-) > (3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-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-) > fatty acyl-coa(4-) > 3-hydroxy fatty acyl-coa(4-) > (s)-3-hydroxyacyl-coa(4-) > (3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-coa(4-)

Preferred term

(3s,6z,9z,12z,15z,18z)-3-hydroxytetracosapentaenoyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C45H68N7O18P3S

inchi

  • InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34+,38+,39+,40-,44+/m0/s1

inchikey

  • NNEPPYNERZEJEE-VUGYPBMHSA-J

is_conjugate_base_of

mass

  • 1120.04400

monoisotopicmass

  • 1119.35763

smiles

  • CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC[C@H](O)CC(=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

subset

  • 3_STAR

synonym RELATED

  • (3S,6Z,9Z,12Z,15Z,18Z)-3-hydroxytetracosapentaenoyl-coenzyme A(4-)
  • (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  • (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA(4-)
  • (S)-3-hydroxy-(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-coenzyme A(4-)
  • (S)-3-OH-C24:5(n-6)-CoA(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76366

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