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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-) > 2,3-trans-enoyl coa(4-) > (2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > 2,3-trans-enoyl coa(4-) > (2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-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-) > 2,3-trans-enoyl coa(4-) > (2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-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-) > 2,3-trans-enoyl coa(4-) > (2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-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-) > 2,3-trans-enoyl coa(4-) > (2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-coa(4-)

Preferred term

(2e,14z,17z,20z,23z,26z,29z)-dotriacontaheptaenoyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C53H80N7O17P3S

inchi

  • InChI=1S/C53H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-44(62)81-37-36-55-43(61)34-35-56-51(65)48(64)53(2,3)39-74-80(71,72)77-79(69,70)73-38-42-47(76-78(66,67)68)46(63)52(75-42)60-41-59-45-49(54)57-40-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,20-21,32-33,40-42,46-48,52,63-64H,4,7,10,13,16,19,22-31,34-39H2,1-3H3,(H,55,61)(H,56,65)(H,69,70)(H,71,72)(H2,54,57,58)(H2,66,67,68)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,33-32+/t42-,46-,47-,48+,52-/m1/s1

inchikey

  • KAFBLEUUSSNJSY-QLMIOEOTSA-J

is_conjugate_base_of

mass

  • 1212.22500

monoisotopicmass

  • 1211.45662

smiles

  • CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCCC/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

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-2,14,17,20,23,26,29-heptaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}

synonym RELATED

  • (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA
  • (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-coenzyme A(4-)
  • 2trans,14cis,17cis,20cis,23cis,26cis,29cis-dotriacontaheptaenoyl-CoA(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76504

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