3-[(3aS,4S,5R,7aS)-5-Hydroxy-7a-methyl-1-oxooctahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA

化合物标识与属性

PubChem CID

90657575

SMILES

C[C@]12CC[C@H]([C@H]([C@@H]1CCC2=O)C(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O)O)O

Canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)[C@@H]1[C@H](O)CC[C@]2(C)C(=O)CC[C@@H]12