CHEBI:64972 - 3-hydroxyhexacosanoyl-CoA

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ChEBI Name 3-hydroxyhexacosanoyl-CoA
ChEBI ID CHEBI:64972
Definition A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyhexacosanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H86N7O18P3S
Net Charge 0
Average Mass 1162.20800
Monoisotopic Mass 1161.49629
InChI InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35?,36-,40-,41-,42+,46-/m1/s1
InChIKey GBMJOTOUUWGTIA-HSPCTEKSSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(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]([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 3-hydroxyhexacosanoyl-CoA (CHEBI:64972) has functional parent 3-hydroxyhexacosanoic acid (CHEBI:52422)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is conjugate acid of 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959)
Incoming 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is conjugate base of 3-hydroxyhexacosanoyl-CoA (CHEBI:64972)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
3-hydroxyhexacosanoyl-coenzyme A ChEBI
Last Modified
19 June 2012