CHEBI:85074 - 2-methylhexadecanoyl-CoA

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ChEBI Name 2-methylhexadecanoyl-CoA
ChEBI ID CHEBI:85074
Definition A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexadecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H68N7O17P3S
Net Charge 0
Average Mass 1019.97000
Monoisotopic Mass 1019.36053
InChI InChI=1S/C38H68N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)37(50)66-21-20-40-28(46)18-19-41-35(49)32(48)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-31(61-63(51,52)53)30(47)36(60-27)45-25-44-29-33(39)42-24-43-34(29)45/h24-27,30-32,36,47-48H,5-23H2,1-4H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t26?,27-,30-,31-,32+,36-/m1/s1
InChIKey QZFDHHYXOIZHRU-FWWYCUMBSA-N
SMILES CCCCCCCCCCCCCCC(C)C(=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 via ChEBI Ontology
ChEBI Ontology
Outgoing 2-methylhexadecanoyl-CoA (CHEBI:85074) has functional parent 2-methylhexadecanoic acid (CHEBI:85057)
2-methylhexadecanoyl-CoA (CHEBI:85074) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
2-methylhexadecanoyl-CoA (CHEBI:85074) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-methylhexadecanoyl-CoA (CHEBI:85074) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
2-methylhexadecanoyl-CoA (CHEBI:85074) is a saturated fatty acyl-CoA (CHEBI:231546)
2-methylhexadecanoyl-CoA (CHEBI:85074) is conjugate acid of 2-methylhexadecanoyl-CoA(4−) (CHEBI:84182)
Incoming 2-methylhexadecanoyl-CoA(4−) (CHEBI:84182) is conjugate base of 2-methylhexadecanoyl-CoA (CHEBI:85074)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2-methylhexadecanoyl-coenzyme A ChEBI
2-methylpalmitoyl-CoA ChEBI
2-methylpalmitoyl-coenzyme A ChEBI
Last Modified
07 June 2024