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CHEBI:76470 - (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:76470
ChEBI Name(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−)
Stars
ASCII Name(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC51H80N7O18P3S
Net Charge-4
Average Mass1204.221
Monoisotopic Mass1203.45153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC[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/C51H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,37-40,44-46,50,59,62-63H,4,7,10,13,16,19-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t39-,40-,44-,45-,46+,50-/m1/s1
InChIKeyZFKMTILXBWNELO-YFDUICMCSA-J
ChEBI Ontology
Outgoing Relation(s)
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−) (CHEBI:76470) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−) (CHEBI:76470) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−) (CHEBI:76470) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−) (CHEBI:76470) is conjugate base of (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA (CHEBI:76654)
Incoming Relation(s)
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA (CHEBI:76654) is conjugate acid of (3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA(4−) (CHEBI:76470)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriaconta-15,18,21,24,27-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
D-3-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−)SUBMITTER
(R)-3-OH-C30:5(n-3)-CoA(4−)SUBMITTER
(R)-3-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−)ChEBI
(R)-3-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-coenzyme A(4−)ChEBI
(3R,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(3R)-hydroxy-(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoAUniProt