COMPOUND: C13949
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Entry
C13949 Compound
Name
9-Chloro-10-hydroxyhexadecanoic acid;
9-Chloro-10-hydroxypalmitic acid;
9-Chloro-10-hydroxypalmitate
Formula
C16H31ClO3
Exact mass
306.1962
Mol weight
306.8685
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0109 Halogenated fatty acids
C13949 9-Chloro-10-hydroxyhexadecanoic acid
BRITE hierarchy
Other DBs
PubChem:
854192
ChEBI:
34508
LIPIDMAPS:
LMFA01090044
NIKKAJI:
J2.787.814H
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KCF data
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ATOM 20
1 C1b C 26.5383 -17.4845
2 C1b C 27.7544 -16.7827
3 C1b C 25.3219 -16.7827
4 C1b C 28.9591 -17.4845
5 C1b C 24.1174 -17.4845
6 C1c C 30.1754 -16.7827
7 C1b C 22.9011 -16.7827
8 C1c C 31.3800 -17.4845
9 C1b C 21.6966 -17.4845
10 C1b C 32.5962 -16.7827
11 C6a C 20.4803 -16.7827
12 C1b C 33.8124 -17.4845
13 O6a O 19.2700 -17.4904
14 O6a O 20.4861 -15.3852
15 C1b C 35.0171 -16.7827
16 C1b C 36.2332 -17.4845
17 C1b C 37.4437 -16.7827
18 C1a C 38.6542 -17.4845
19 X Cl 30.1783 -15.3775
20 O1a O 31.3771 -18.8776
BOND 19
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 6 19 1
19 8 20 1
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