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CHEBI:71435 - 3-hydroxyisopentadecanoyl-CoA(4−)

ChEBI IDCHEBI:71435
ChEBI Name3-hydroxyisopentadecanoyl-CoA(4−)
Stars
ASCII Name3-hydroxyisopentadecanoyl-CoA(4-)
DefinitionAn 3-hydroxy fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyisopentadecanoyl-CoA; the major species at pH 7.3.
Last Modified8 November 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC36H60N7O18P3S
Net Charge-4
Average Mass1003.896
Monoisotopic Mass1003.29503
SMILESCC(C)CCCCCCCCCC(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/C36H64N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-25,29-31,35,44,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/p-4/t24?,25-,29-,30-,31+,35-/m1/s1
InChIKeyLWXQJJYOZWNPDR-ZJHONPRDSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435) is conjugate base of 3-hydroxyisopentadecanoyl-CoA (CHEBI:71443)
Incoming Relation(s)
3-hydroxyisopentadecanoyl-CoA (CHEBI:71443) is conjugate acid of 3-hydroxyisopentadecanoyl-CoA(4−) (CHEBI:71435)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
3-hydroxyisopentadecanoyl-coenzyme A(4−)ChEBI
3-hydroxy-13-methylmyristoyl-CoA(4−)ChEBI
3-hydroxy-13-methyltetradecanoyl-coenzyme A(4−)ChEBI
3-hydroxy-13-methyltetradecanoyl-CoA(4−)ChEBI
3-hydroxy-13-methylmyristoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-hydroxyisopentadecanoyl-CoAUniProt