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CHEBI:76502 - (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−)

ChEBI IDCHEBI:76502
ChEBI Name(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−)
Stars
ASCII Name(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4-)
DefinitionAn (R)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA; major species at pH 7.3.
Last Modified21 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC53H82N7O18P3S
Net Charge-4
Average Mass1230.259
Monoisotopic Mass1229.46718
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC[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/C53H86N7O18P3S/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/h5-6,8-9,11-12,14-15,17-18,20-21,39-42,46-48,52,61,64-65H,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)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t41-,42-,46-,47-,48+,52-/m1/s1
InChIKeySNXAVBGPAGYISO-ALHQLESVSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−) (CHEBI:76502) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−) (CHEBI:76502) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−) (CHEBI:76502) is conjugate base of (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA (CHEBI:76682)
Incoming Relation(s)
(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA (CHEBI:76682) is conjugate acid of (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA(4−) (CHEBI:76502)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriaconta-14,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
D-3-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C32:6(ω-3)-CoA(4−)SUBMITTER
(R)-3-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−)ChEBI
(R)-3-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-coenzyme A(4−)ChEBI
(3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoAUniProt