Skip to content

Commit f4e26d0

Browse files
committed
Some abbreviations with Deuterium
1 parent c2e0a24 commit f4e26d0

2 files changed

Lines changed: 3 additions & 0 deletions

File tree

cdkdepict-lib/src/main/resources/org/openscience/cdk/app/group_abbr.smi

Lines changed: 2 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -47,6 +47,8 @@ CC(C)(C)OC(*)=O Boc
4747
*Cc1ccccc1 Bn
4848
*c1ccccc1 Ph
4949
*C1CCCCC1 Cy
50+
*C([2H])([2H])[2H] CD3
51+
*OC([2H])([2H])[2H] OCD3
5052
*OP(=O)(O)O OPO3H2
5153
*OP(=O)([O-])[O-] OPO3-2
5254
*OP(=O)([OH])[O-] OPOH3H-

cdkdepict-lib/src/main/resources/org/openscience/cdk/app/reagent_abbr.smi

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -333,6 +333,7 @@ CC(C)(C)[O-].[K+] tBuOK
333333
CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.F[B-](F)(F)F TTBP·HBF4
334334
C(#N)C=P(CCCC)(CCCC)CCCC CMBP
335335
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1 T3P
336+
[2H]C([2H])([2H])O[2H] CD3OD
336337

337338
# Metabolites
338339
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O ATP

0 commit comments

Comments
 (0)