CDP-DG(16:0/18:1(9Z)),小分子代谢物

CDP-DG(16:0/18:1(9Z))

SMPDB_ID

SMP0000463

通道名称

Phosphatidylinositol Phosphate Metabolism

通路

Metabolic

代谢物ID

PW_C003022

CAS号

公式

C46H83N3O15P2

HMDB_ID

HMDB0006971

KEGG_ID

C00269

ChEBI_ID

17962

DrugBank_ID

IUPAC

{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

微笑

[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38-,39-,43+,44?,45-/m1/s1

InChI关键

FPQIENQTTUVFMM-BLPYJZGISA-N