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phytanoyl-CoA (CHEBI:15538)

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ChEBI Name phytanoyl-CoA
ChEBI ID CHEBI:15538
Definition The S-phytanoyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14835, CHEBI:26113, CHEBI:8190
Supplier Information
See structure as:  Image  Applet
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Formula Source
C41H74N7O17P3S KEGG COMPOUND
Net Charge 0
Average Mass 1062.05052
InChI
InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27?,28?,29?,30-,34-,35-,36+,40-/m1/s1
InChIKey
NRJQGHHZMSOUEN-ZJGVPSKGSA-N
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing phytanoyl-CoA (CHEBI:15538) has functional parent coenzyme A (CHEBI:15346)
phytanoyl-CoA (CHEBI:15538) has functional parent phytanic acid (CHEBI:16285)
phytanoyl-CoA (CHEBI:15538) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
phytanoyl-CoA (CHEBI:15538) is conjugate acid of phytanoyl-CoA(4−) (CHEBI:57391)
Incoming 2-hydroxyphytanoyl-CoA (CHEBI:15475) has functional parent phytanoyl-CoA (CHEBI:15538)
phytanoyl-CoA(4−) (CHEBI:57391) is conjugate base of phytanoyl-CoA (CHEBI:15538)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonym Source
Phytanoyl-CoA KEGG COMPOUND
Database Link Database
C02060 KEGG COMPOUND
View more database links
Last Modified
04 August 2014

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