COMPOUND: C20953
Help
Entry
C20953 Compound
Name
3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.17
Structure
Mol file
KCF file
DB search
Reaction
R10934
R11065
Pathway
map00998
Biosynthesis of various antibiotics
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00787
Bacilysin biosynthesis, prephenate => bacilysin
Enzyme
4.1.1.100
5.3.3.19
Other DBs
PubChem:
254741414
LinkDB
All DBs
KCF data
Show
ATOM 13
1 C2x C 19.9951 -14.0964
2 C2x C 19.9951 -15.4780
3 C2y C 21.1917 -16.1689
4 C2x C 22.3883 -15.4780
5 C1x C 22.3883 -14.0964
6 C1y C 21.1917 -13.4056
7 O1a O 21.1917 -12.0241
8 C1b C 21.1917 -17.5505
9 C5a C 19.9785 -18.2511
10 C6a C 19.9787 -19.6232
11 O6a O 21.1877 -20.3210
12 O6a O 18.7944 -20.3072
13 O5a O 18.7532 -17.5435
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 3 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 9 13 2
» Japanese version
DBGET
integrated database retrieval system