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CHEBI:76491 - (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4−)

ChEBI IDCHEBI:76491
ChEBI Name(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4−)
Stars
ASCII Name(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4-)
DefinitionAn (R)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA; major species at pH 7.3.
Last Modified21 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC47H70N7O18P3S
Net Charge-4
Average Mass1146.097
Monoisotopic Mass1145.37328
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC[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/C47H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,33-36,40-42,46,55,58-59H,4,7,10,13,16,19,22-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t35-,36-,40-,41-,42+,46-/m1/s1
InChIKeyHJHGIVNGUOBMSF-BDGXUZSASA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4−) (CHEBI:76491) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4−) (CHEBI:76491) is conjugate base of (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA (CHEBI:76672)
Incoming Relation(s)
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA (CHEBI:76672) is conjugate acid of (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA(4−) (CHEBI:76491)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,8Z,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosa-8,11,14,17,20,23-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
D-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C26:6(ω-3)-CoA(4−)SUBMITTER
(3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoAUniProt