COMPOUND: C04655
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Entry
C04655 Compound
Name
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate;
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylic acid
Formula
C16H28O7
Exact mass
332.1835
Mol weight
332.39
Structure
Mol file
KCF file
DB search
Reaction
R03735
Enzyme
2.3.3.2
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0117 Dicarboxylic acids
C04655 (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylic acid
BRITE hierarchy
Other DBs
PubChem:
7241
ChEBI:
15608
LIPIDMAPS:
LMFA01170074
NIKKAJI:
J2.752.735C
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All DBs
KCF data
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ATOM 23
1 C1d C 33.4354 -15.8604
2 C1c C 32.2299 -16.5614
3 C1b C 34.6482 -16.5614
4 C6a C 33.4354 -14.4639
5 O1a O 32.2182 -15.1534
6 C1b C 31.0111 -15.8604
7 C6a C 32.2299 -17.9579
8 C6a C 35.8666 -15.8604
9 O6a O 34.6541 -13.7686
10 O6a O 32.2239 -13.7686
11 C1b C 29.8055 -16.5614
12 O6a O 31.0111 -18.6591
13 O6a O 33.4354 -18.6591
14 O6a O 37.0723 -16.5674
15 O6a O 35.8539 -14.6039
16 C1b C 28.5871 -15.8604
17 C1b C 27.3743 -16.5614
18 C1b C 26.1687 -15.8604
19 C1b C 24.9500 -16.5614
20 C1b C 23.7445 -15.8604
21 C1b C 22.5319 -16.5614
22 C1b C 21.3133 -15.8604
23 C1a C 20.1076 -16.5614
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 4 9 1
9 4 10 2
10 6 11 1
11 7 12 1
12 7 13 2
13 8 14 1
14 8 15 2
15 11 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
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