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CHEBI:76505 - (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−)

ChEBI IDCHEBI:76505
ChEBI Name(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−)
Stars
ASCII Name(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4-)
DefinitionAn (R)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA; major species at pH 7.3.
Last Modified21 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC55H86N7O18P3S
Net Charge-4
Average Mass1258.313
Monoisotopic Mass1257.49848
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C55H90N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43(63)38-46(65)84-37-36-57-45(64)34-35-58-53(68)50(67)55(2,3)40-77-83(74,75)80-82(72,73)76-39-44-49(79-81(69,70)71)48(66)54(78-44)62-42-61-47-51(56)59-41-60-52(47)62/h5-6,8-9,11-12,14-15,17-18,20-21,41-44,48-50,54,63,66-67H,4,7,10,13,16,19,22-40H2,1-3H3,(H,57,64)(H,58,68)(H,72,73)(H,74,75)(H2,56,59,60)(H2,69,70,71)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t43-,44-,48-,49-,50+,54-/m1/s1
InChIKeyOVNZLBLXWFFQEJ-HLDRNNPKSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−) (CHEBI:76505) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−) (CHEBI:76505) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−) (CHEBI:76505) is conjugate base of (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA (CHEBI:76684)
Incoming Relation(s)
(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA (CHEBI:76684) is conjugate acid of (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA(4−) (CHEBI:76505)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriaconta-16,19,22,25,28,31-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
D-3-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C34:6(n-3)-CoA(4−)SUBMITTER
(R)-3-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-coenzyme A(4−)ChEBI
(3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoAUniProt