CHEBI:49174 - 2-hydroxy-3-methylhexadecanoyl-CoA

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ChEBI Name 2-hydroxy-3-methylhexadecanoyl-CoA
ChEBI ID CHEBI:49174
Definition The 2-hydroxy-3-methylhexadecanoyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H68N7O18P3S
Net Charge 0
Average Mass 1035.97018
Monoisotopic Mass 1035.35544
InChI InChI=1S/C38H68N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(2)29(47)37(51)67-20-19-40-27(46)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-26-31(62-64(52,53)54)30(48)36(61-26)45-24-44-28-33(39)42-23-43-34(28)45/h23-26,29-32,36,47-49H,5-22H2,1-4H3,(H,40,46)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t25?,26-,29?,30-,31-,32+,36-/m1/s1
InChIKey NOYKDOHWNYIPQD-MYAUCQMWSA-N
SMILES CCCCCCCCCCCCCC(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]([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-hydroxy-3-methylhexadecanoyl-CoA (CHEBI:49174) has functional parent 2-hydroxy-3-methylhexadecanoic acid (CHEBI:49175)
2-hydroxy-3-methylhexadecanoyl-CoA (CHEBI:49174) is a 2-hydroxy-3-methylacyl-CoA (CHEBI:49173)
2-hydroxy-3-methylhexadecanoyl-CoA (CHEBI:49174) is conjugate acid of 2-hydroxy-3-methylhexadecanoyl-CoA(4−) (CHEBI:58784)
Incoming 2-hydroxy-3-methylhexadecanoyl-CoA(4−) (CHEBI:58784) is conjugate base of 2-hydroxy-3-methylhexadecanoyl-CoA (CHEBI:49174)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonym Source
S-(2-hydroxy-3-methylhexadecanoyl)-coenzyme A ChEBI
Last Modified
23 April 2010