Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:39:40 UTC
Update Date2022-08-31 17:16:26 UTC
Metabolite IDMMDBc0029739
Metabolite Identification
Common Name(S)-Hydroxydecanoyl-CoA
Description(S)-Hydroxydecanoyl-CoA has a role in the synthesis and oxidation of fatty acids. It is involved in fatty acid elongation. In this pathway 3-Oxodecanoyl-CoA is acted upon by two enzymes, 3-hydroxyacyl-CoA dehydrogenase and long-chain-3-hydroxyacyl-CoA dehydrogenase to produce (S)-Hydroxydecanoyl-CoA. Since coenzyme A is chemically a thiol, it can react with carboxylic acids to form thioesters, thus functioning as an acyl group carrier. A molecule of coenzyme A carrying an acetyl group is also referred to as acetyl-CoA. When it is not attached to an acyl group it is usually referred to as CoASH or HSCoA.
Structure
Synonyms
ValueSource
(S)-3-Hydroxydecanoyl-CoAHMDB
(S)-3-Hydroxydecanoyl-coenzyme AHMDB
3-Hydroxydecanoyl-CoAHMDB
3-Hydroxydecanoyl-coenzyme AHMDB
3S-Hydroxy-decanoyl-CoAHMDB
3S-Hydroxy-decanoyl-coenzyme AHMDB
b-Hydroxydecanoyl coenzyme AHMDB
beta-Hydroxydecanoyl coenzyme AHMDB
DL-b-Hydroxydecanoyl coenzyme AHMDB
DL-beta-Hydroxydecanoyl coenzyme AHMDB
S-(3-HydroxydecanoateHMDB
S-(3-Hydroxydecanoate) CoAHMDB
S-(3-Hydroxydecanoate) coenzyme AHMDB
S-(3-Hydroxydecanoate)CoAHMDB
S-(3-Hydroxydecanoate)coenzyme AHMDB
S-(3-Hydroxydecanoic acidHMDB
3-Hydroxydecanoyl-coenzyme A, (R)-isomerHMDB
Molecular FormulaC31H54N7O18P3S
Average Mass937.783
Monoisotopic Mass937.245888185
IUPAC Name{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Name(S)-3-hydroxydecanoyl-coa
CAS Registry Number6245-70-1
SMILES
CCCCCCC[C@H](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(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12
InChI Identifier
InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1
InChI KeyHIVSMYZAMUNFKZ-WQUYVQPTSA-N