COMPOUND: C04471
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Entry
C04471 Compound
Name
(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate;
4-Deoxy-L-erythro-hex-5-ulosuronic acid
Formula
C6H8O6
Exact mass
176.0321
Mol weight
176.1241
Structure
Mol file
KCF file
DB search
Reaction
R01543
R13197
Enzyme
1.1.1.126
4.2.99.25
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0105 Hydroxy fatty acids
C04471 4-Deoxy-L-erythro-hex-5-ulosuronic acid
BRITE hierarchy
Other DBs
PubChem:
7093
ChEBI:
15624
LIPIDMAPS:
LMFA01050449
PDB-CCD:
V4W
[
PDBj
]
NIKKAJI:
J2.695.102J
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All DBs
KCF data
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ATOM 12
1 C1c C 27.3920 -19.8685
2 C1b C 28.5934 -19.1820
3 C1c C 26.1968 -19.1820
4 O1a O 27.3920 -21.3234
5 C5a C 29.7887 -19.8685
6 C4a C 25.0018 -19.8685
7 O1a O 26.1968 -17.7962
8 C6a C 30.9838 -19.1820
9 O5a O 29.7887 -21.3234
10 O6a O 32.1854 -19.8685
11 O6a O 30.9838 -17.7962
12 O4a O 23.7872 -19.1636
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 1 #Up
7 5 8 1
8 5 9 2
9 8 10 1
10 8 11 2
11 6 12 2
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