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Concept information

... > organooxygen compound > carbonyl compound > thioester > acyl-coa > fatty acyl-coa > unsaturated fatty acyl-coa > (14z,17z,20z,23z,26z,29z)-3-oxodotriacontahexaenoyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > fatty acyl-coa > unsaturated fatty acyl-coa > (14z,17z,20z,23z,26z,29z)-3-oxodotriacontahexaenoyl-coa
... > organooxygen compound > carbonyl compound > thioester > acyl-coa > fatty acyl-coa > oxo-fatty acyl-coa > 3-oxo-fatty acyl-coa > (14z,17z,20z,23z,26z,29z)-3-oxodotriacontahexaenoyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > fatty acyl-coa > oxo-fatty acyl-coa > 3-oxo-fatty acyl-coa > (14z,17z,20z,23z,26z,29z)-3-oxodotriacontahexaenoyl-coa

Preferred term

(14z,17z,20z,23z,26z,29z)-3-oxodotriacontahexaenoyl-coa  

Type

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

charge

  • 0

formula

  • C53H84N7O18P3S

inchi

  • InChI=1S/C53H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,20-21,39-40,42,46-48,52,64-65H,4,7,10,13,16,19,22-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t42-,46-,47-,48+,52-/m1/s1

inchikey

  • AZGXVSZAGKTMIU-RRVBCPTNSA-N

mass

  • 1232.25600

monoisotopicmass

  • 1231.48064

smiles

  • CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCCCC(=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 EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriconta-14,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:74595

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