子结构搜索

453735

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
Reaction #42640
squalene
DOI: 10.6084/m9.figshare.5104873.v1
C[C@@](O)(CCO)CC(=O)[O-]
Reaction #42641
mevalonate
DOI: 10.6084/m9.figshare.5104873.v1
CCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Reaction #52122
(R)-3-hydroxyoctanoyl-CoA
DOI: 10.6084/m9.figshare.5104873.v1
O=C(O)CC(O)CCOc1ccccc1
Reaction #52123
3-hydroxy-5-phenoxyvaleric acid
DOI: 10.6084/m9.figshare.5104873.v1
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Reaction #155386
crotonyl-CoA
DOI: 10.6084/m9.figshare.5104873.v1
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS
Reaction #398903
DOI: 10.1039/C8SC04228D
—
Reaction #460776
peptide
DOI: 10.6084/m9.figshare.5104873.v1
O=CCCC(=O)O
Reaction #475374
Succinic semialdehyde
DOI: 10.6084/m9.figshare.5104873.v1
CC(=O)NCCCCCN
Reaction #487524
Acetylcadaverine
DOI: 10.6084/m9.figshare.5104873.v1
O=CCCC(=O)O
Reaction #492860
Succinic semialdehyde
DOI: 10.6084/m9.figshare.5104873.v1
CC1CCC(=O)O1
Reaction #504951
γ-valerolactone
DOI: 10.6084/m9.figshare.5104873.v1
CC(O)CCC(=O)[O-].[Na+]
Reaction #517597
sodium 4-hydroxyvalerate
DOI: 10.6084/m9.figshare.5104873.v1
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)NCCS
Reaction #531851
desired product
DOI: 10.6084/m9.figshare.5104873.v1
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)NCCS
Reaction #531852
desired product
DOI: 10.6084/m9.figshare.5104873.v1
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Reaction #543550
crotonyl-CoA
DOI: 10.6084/m9.figshare.5104873.v1
CCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Reaction #543551
(R)-3-hydroxyoctanoyl-CoA
DOI: 10.6084/m9.figshare.5104873.v1
—
Reaction #577206
thioester
DOI: 10.6084/m9.figshare.5104873.v1
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
Reaction #601170
squalene
DOI: 10.6084/m9.figshare.5104873.v1
C[C@@](O)(CCO)CC(=O)[O-]
Reaction #601171
mevalonate
DOI: 10.6084/m9.figshare.5104873.v1
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Reaction #612967
crotonyl-CoA
DOI: 10.6084/m9.figshare.5104873.v1
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