Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:30:30 UTC
Update Date2022-08-31 21:55:23 UTC
Metabolite IDMMDBc0032998
Metabolite Identification
Common Nametrans-tetradec-2-enoyl-CoA
Descriptiontrans-Tetradec-2-enoyl-CoA is a coenzyme A derivative of trans-tetradec-2-enoate. Fatty acids must be activated with CoA before any chemical modification can be applied. Also fatty acid metabolic intermediates will also exists as CoA derivatives until the CoA is enzymatically cleaved. The fatty acid group is linked to the terminal thoil moiety of CoA.
Structure
Synonyms
ValueSource
(2E)-Tetradecenoyl-CoAChEBI
trans-Tetradec-2-enoyl-coenzyme AChEBI
Molecular FormulaC35H60N7O17P3S
Average Mass975.874
Monoisotopic Mass975.297923755
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Nametrans-tetradec-2-enoyl-coa
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCC\C=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)N1C=NC2=C1N=CN=C2N
InChI Identifier
InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1
InChI KeyMBCVYCOKMMMWLX-YYMFEJJQSA-N