KEGG   COMPOUND: C18218
Entry
C18218                      Compound                               
Name
16-Hydroxypalmitate;
16-Hydroxypalmitic acid;
16-Hydroxyhexadecanoic acid;
Juniperic acid
Formula
C16H32O3
Exact mass
272.2351
Mol weight
272.4235
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
map01100  Metabolic pathways
Enzyme
1.1.-.-         1.14.14.80      1.14.-.-        2.3.1.188
Other DBs
CAS: 506-13-8
PubChem: 103061400
ChEBI: 55328
LIPIDMAPS: LMFA01050051
KNApSAcK: C00007430 C00034997
PDB-CCD: 16Y[PDBj]
NIKKAJI: J11.795A
LinkDB
KCF data

ATOM        19
            1   O1a O    41.6500  -25.3400
            2   C1b C    40.4600  -26.0400
            3   C1b C    39.2000  -25.3400
            4   C1b C    38.0100  -26.0400
            5   C1b C    36.8200  -25.3400
            6   C1b C    35.5600  -26.0400
            7   C1b C    34.3700  -25.3400
            8   C1b C    33.1800  -26.0400
            9   C1b C    31.9200  -25.3400
            10  C1b C    30.7300  -26.0400
            11  C1b C    29.5400  -25.3400
            12  C1b C    28.2800  -26.0400
            13  C1b C    27.0900  -25.3400
            14  C1b C    25.9000  -26.0400
            15  C1b C    24.6400  -25.3400
            16  C1b C    23.4500  -26.0400
            17  C6a C    22.2600  -25.3400
            18  O6a O    21.0000  -26.0400
            19  O6a O    22.2600  -23.9400
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 2

» Japanese version

KEGG   COMPOUND: C19616
Entry
C19616                      Compound                               
Name
18-Hydroxyoleate;
18-Hydroxyoleic acid;
(9Z)-18-Hydroxyoctadec-9-enoic acid
Formula
C18H34O3
Exact mass
298.2508
Mol weight
298.4608
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.1.-.-         1.11.2.3        1.14.14.80
Other DBs
PubChem: 135626104
ChEBI: 78424 79312
LIPIDMAPS: LMFA02000181
KNApSAcK: C00007439
LinkDB
KCF data

ATOM        21
            1   C1b C    18.4100  -21.5600
            2   C1b C    19.6000  -22.3300
            3   C1b C    17.2200  -22.3300
            4   C2b C    20.8600  -21.5600
            5   C1b C    15.9600  -21.5600
            6   C2b C    22.2600  -21.5600
            7   C1b C    14.7700  -22.3300
            8   C1b C    23.4500  -22.3300
            9   C1b C    13.5800  -21.5600
            10  C1b C    24.6400  -21.5600
            11  C1b C    12.3900  -22.3300
            12  C1b C    25.9000  -22.3300
            13  C6a C    11.1300  -21.5600
            14  C1b C    27.0900  -21.5600
            15  O6a O     9.9400  -22.3300
            16  O6a O    11.1300  -20.1600
            17  C1b C    28.2800  -22.3300
            18  C1b C    29.4700  -21.5600
            19  C1b C    30.7300  -22.3300
            20  C1b C    31.9200  -21.5600
            21  O1a O    33.1664  -22.1976
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            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   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

» Japanese version

KEGG   COMPOUND: C19623
Entry
C19623                      Compound                               
Name
22-Hydroxydocosanoate;
22-Hydroxydocosanoic acid;
Phellonic acid
Formula
C22H44O3
Exact mass
356.329
Mol weight
356.583
Structure
Reaction
Pathway
map00073  Cutin, suberine and wax biosynthesis
Enzyme
1.1.-.-         1.14.-.-
Other DBs
PubChem: 135626111
ChEBI: 76322
LIPIDMAPS: LMFA01050079
KNApSAcK: C00035005
LinkDB
KCF data

ATOM        25
            1   O6a O    10.2200  -15.4000
            2   C6a C    11.4324  -16.1000
            3   C1b C    12.6449  -15.4000
            4   C1b C    13.8573  -16.1000
            5   C1b C    15.0697  -15.4000
            6   C1b C    16.2822  -16.1000
            7   C1b C    17.4946  -15.4000
            8   C1b C    18.7070  -16.1000
            9   C1b C    19.9195  -15.4000
            10  C1b C    21.1319  -16.1000
            11  C1b C    22.3444  -15.4000
            12  C1b C    23.5568  -16.1000
            13  C1b C    24.7692  -15.4000
            14  C1b C    25.9817  -16.1000
            15  C1b C    27.1941  -15.4000
            16  C1b C    28.4065  -16.1000
            17  C1b C    29.6190  -15.4000
            18  C1b C    30.8314  -16.1000
            19  C1b C    32.0438  -15.4000
            20  C1b C    33.2563  -16.1000
            21  C1b C    34.4687  -15.4000
            22  C1b C    35.6811  -16.1000
            23  O6a O    11.4324  -17.4998
            24  C1b C    36.9076  -15.3918
            25  O1a O    38.1103  -16.0862
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  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    2  23 2
            23   22  24 1
            24   24  25 1

» Japanese version

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