(2E)-Dodecenoyl-CoA,小分子代谢物

(2E)-Dodecenoyl-CoA

SMPDB_ID

SMP0000481

通道名称

Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids

通路

Metabolic

代谢物ID

PW_C001959

CAS号

1066-12-2

公式

C33H52N7O17P3S

HMDB_ID

HMDB0003712

KEGG_ID

C03221

ChEBI_ID

57330

DrugBank_ID

IUPAC

(3R)-3-{[2-({2-[(2E)-dodec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate

微笑

CCCCCCCCC\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

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/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b13-12+/t22-,26-,27-,28+,32-/m1/s1

InChI关键

IRFYVBULXZMEDE-DEEZISNZSA-J