3-cis-dodecenoyl-CoA
public_id
FDB030411
IUPAC 名称
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(3Z)-dodec-3-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
描述
3-cis-dodecenoyl-coa is a member of the class of compounds known as 3-enoyl coas. 3-enoyl coas are organic compounds containing a coenzyme A substructure linked to a 3-enoyl chain. Thus, 3-cis-dodecenoyl-coa is considered to be a fatty ester lipid molecule. 3-cis-dodecenoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-cis-dodecenoyl-coa can be found in a number of food items such as yam, horned melon, tarragon, and bitter gourd, which makes 3-cis-dodecenoyl-coa a potential biomarker for the consumption of these food products.
CAS号
异构
[H]\C(CCCCCCCC)=C(/[H])CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
InChI标识符
InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b12-11-/t22-,26-,27-,28+,32-/m1/s1
XEMIVMKTVGRFTD-REDSNERGSA-N
平均分子量
947.266625539
id
30574
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