Chenodeoxycholic acid;URSODEOXYCHOLOCACID;3,7-dihydroxy-,(3-alpha,5-beta,7-alpha)-cholan-24-oicaci;3,7-dihydroxy-,(3alpha,5beta,7alpha)-cholan-24-oicaci;3,7-Dihydroxy-5-Cholanicacid;3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oicaci;3-alpha,7-alpha-dihydro

化合物标识与属性

CAS

474-25-9

PubChem CID

122706929

SMILES

C1=CC(=CC=C1C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCCC[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCCC[C@@H](C(=O)O)N

Canonical SMILES

N[C@@H](CCCCNC(=S)Nc1ccc(C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1)C(=O)O.N[C@@H](CCCCNC(=S)Nc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1)C(=O)O