This study identified metabolites strongly associated with the efficacy of HCC anti-PD-1/PD-L1 immune therapy (DG (11M3/9M5/0:0, PE (36:4), DG (O-18:0/2:0/0:0), LysoPC (16:0), PA (30:0), PE-NMe (30:2), DG (11D3/9D3/0:0), DG (42:10), PE (32:1), PA (37:4), PG (36:4), PE (38:9), PG (38:5) and PG (40:6)). Here, PDCD1 is linked to hepatocellular carcinoma.