Name: Glycolithocholic-2,2,4,4-D4 Acid
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HIT ID:HIT218701046
Cas No:
Common Name:Glycolithocholic-2,2,4,4-D4 Acid
Common Name:Glycolithocholic-2,2,4,4-D4 Acid
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
InChI key:XBSQTYHEGZTYJE-CPHZDNHJSA-N

Molecular Formula:C26H43NO4
Molecular Weight:437.657
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O

Glycolithocholic-2,2,4,4-D4 Acid is a deuterated compound of Glycolithocholic Acid (<a style="color:#E14C54" href="/compound/glycolithocholic%20acid">T31964</a>).

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