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CHEBI:76382 - (R)-3-hydroxyoctacosanoyl-CoA(4−)

ChEBI IDCHEBI:76382
ChEBI Name(R)-3-hydroxyoctacosanoyl-CoA(4−)
Stars
ASCII Name(R)-3-hydroxyoctacosanoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxyoctacosanoyl-CoA [(R)-3-hydroxymontanoyl-CoA]; major species at pH 7.3.
Last Modified6 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC49H86N7O18P3S
Net Charge-4
Average Mass1186.247
Monoisotopic Mass1185.49848
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[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/C49H90N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-38,42-44,48,57,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/p-4/t37-,38-,42-,43-,44+,48-/m1/s1
InChIKeyNTFBHMWCTYUQPR-LAOISBJJSA-J
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is conjugate base of (R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472)
Incoming Relation(s)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) is conjugate acid of (R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(3R)-3-hydroxyoctacosanoyl-CoA(4−)SUBMITTER
(R)-3-OH-C28:0-CoA(4−)SUBMITTER
(R)-3-hydroxymontanoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxyoctacosanoyl-coenzyme A(4−)ChEBI
(R)-3-hydroxymontanoyl-CoA(4−)ChEBI
UniProt Name  Source
(3R)-hydroxyoctacosanoyl-CoAUniProt