CHEBI:71038 - 3-hydroxyadipyl-CoA

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ChEBI Name 3-hydroxyadipyl-CoA
ChEBI ID CHEBI:71038
Definition An acyl-CoA that results from formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-hydroxyadipic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44N7O20P3S
Net Charge 0
Average Mass 911.65900
Monoisotopic Mass 911.157
InChI InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,20-,21-,22+,26-/m1/s1
InChIKey OTEACGAEDCIMBS-FOLKQPSDSA-N
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCC(O)=O
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-hydroxyadipyl-CoA (CHEBI:71038) is a 3-hydroxyacyl-CoA (CHEBI:65260)
3-hydroxyadipyl-CoA (CHEBI:71038) is conjugate acid of 3-hydroxyadipyl-CoA(5−) (CHEBI:70990)
Incoming 3-hydroxyadipyl-CoA(5−) (CHEBI:70990) is conjugate base of 3-hydroxyadipyl-CoA (CHEBI:71038)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-hydroxyadipoyl-CoA ChEBI
3-hydroxyadipoyl-coenzyme A ChEBI
S-(5-carboxy-3-hydroxypentanoyl)-CoA ChEBI
S-(5-carboxy-3-hydroxypentanoyl)-coenzyme A ChEBI
Database Link Database
3-HYDROXYADIPYL-COA MetaCyc
View more database links
Last Modified
08 May 2013