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CHEBI:76384 - (R)-3-hydroxytriacontanoyl-CoA(4−)

ChEBI IDCHEBI:76384
ChEBI Name(R)-3-hydroxytriacontanoyl-CoA(4−)
Stars
ASCII Name(R)-3-hydroxytriacontanoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxytriacontanoyl-CoA [(R)-3-hydroxymelissoyl-CoA]; major species at pH 7.3.
Last Modified6 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC51H90N7O18P3S
Net Charge-4
Average Mass1214.301
Monoisotopic Mass1213.52978
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC[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/C51H94N7O18P3S/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/h37-40,44-46,50,59,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/t39-,40-,44-,45-,46+,50-/m1/s1
InChIKeyOOHJFDLXKWKOIL-YRELWKTGSA-J
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxytriacontanoyl-CoA(4−) (CHEBI:76384) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(R)-3-hydroxytriacontanoyl-CoA(4−) (CHEBI:76384) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(R)-3-hydroxytriacontanoyl-CoA(4−) (CHEBI:76384) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(R)-3-hydroxytriacontanoyl-CoA(4−) (CHEBI:76384) is conjugate base of (R)-3-hydroxytriacontanoyl-CoA (CHEBI:76485)
Incoming Relation(s)
(R)-3-hydroxytriacontanoyl-CoA (CHEBI:76485) is conjugate acid of (R)-3-hydroxytriacontanoyl-CoA(4−) (CHEBI:76384)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxytriacontanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(R)-3-hydroxytriacontanoyl-CoA(4−)SUBMITTER
(R)-3-OH-C30:0-CoA(4−)SUBMITTER
(R)-3-hydroxymelissoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxytriacontanoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxymelissoyl-CoA(4−)ChEBI
UniProt Name  Source
(3R)-hydroxytriacontanoyl-CoAUniProt