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CHEBI:57334 - 2-hydroxyphytanoyl-CoA(4−)

ChEBI IDCHEBI:57334
ChEBI Name2-hydroxyphytanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyphytanoyl-CoA(4-)
DefinitionA multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyphytanoyl-CoA .
Last Modified30 June 2015
DownloadsMolfile
FormulaC41H70N7O18P3S
Net Charge-4
Average Mass1074.031
Monoisotopic Mass1073.37328
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=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/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t26?,27?,28?,29-,32?,33-,34-,35+,39-/m1/s1
InChIKeyWNVFJMYPVBOLKV-YLNUKALLSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyphytanoyl-CoA(4−) (CHEBI:57334) has role human metabolite (CHEBI:77746)
2-hydroxyphytanoyl-CoA(4−) (CHEBI:57334) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
2-hydroxyphytanoyl-CoA(4−) (CHEBI:57334) is conjugate base of 2-hydroxyphytanoyl-CoA (CHEBI:15475)
Incoming Relation(s)
2-hydroxyphytanoyl-CoA (CHEBI:15475) is conjugate acid of 2-hydroxyphytanoyl-CoA(4−) (CHEBI:57334)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A(4−)ChEBI
2-hydroxyphytanoyl-coenzyme A(4−)ChEBI
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA(4−)ChEBI
α-hydroxyphytanoyl-CoA(4−)ChEBI
UniProt Name  Source
2-hydroxyphytanoyl-CoAUniProt