KEGG   COMPOUND: C00249
Entry
C00249                      Compound                               
Name
Hexadecanoic acid;
Hexadecanoate;
Hexadecylic acid;
Palmitic acid;
Palmitate;
Cetylic acid
Formula
C16H32O2
Exact mass
256.2402
Mol weight
256.42
Structure
Remark
Same as: D05341
Reaction
R01274 R01280 R01703 R01704 R01705 R01706 R02368 R03049
R08602 R09451 R12396 R12398
Pathway
map00061  Fatty acid biosynthesis
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map00073  Cutin, suberine and wax biosynthesis
map01040  Biosynthesis of unsaturated fatty acids
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Module
M00086  beta-Oxidation, acyl-CoA synthesis
Network
nt06020  beta-Oxidation in mitochondria
Enzyme
1.2.1.48        1.11.1.3        1.14.14.80      1.14.-.-        
2.3.1.85        3.1.1.63        3.1.1.-         3.1.2.2         
3.1.2.14        3.1.2.22        3.1.2.-         6.2.1.3         
6.2.1.57
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Saturated fatty acids
    C00249  Palmitic acid (16:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C00249  Hexadecanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C00249  Palmitic acid
Other DBs
CAS: 57-10-3
PubChem: 3548
ChEBI: 15756
LIPIDMAPS: LMFA01010001
KNApSAcK: C00001233 C00030479
PDB-CCD: PLM[PDBj]
3DMET: B00071
NIKKAJI: J1.378A
LinkDB
KCF data

ATOM        18
            1   C1b C    29.6871  -18.2068
            2   C1b C    30.9032  -17.5051
            3   C1b C    28.4708  -17.5051
            4   C1b C    32.1078  -18.2068
            5   C1b C    27.2664  -18.2068
            6   C1b C    33.3240  -17.5051
            7   C1b C    26.0501  -17.5051
            8   C1b C    34.5286  -18.2068
            9   C1b C    24.8457  -18.2068
            10  C1b C    35.7447  -17.5051
            11  C6a C    23.6295  -17.5051
            12  C1b C    36.9608  -18.2068
            13  O6a O    22.4192  -18.2127
            14  O6a O    23.6353  -16.1077
            15  C1b C    38.1654  -17.5051
            16  C1b C    39.3815  -18.2068
            17  C1b C    40.5919  -17.5051
            18  C1a C    41.8023  -18.2068
BOND        17
            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

» Japanese version

KEGG   COMPOUND: C00712
Entry
C00712                      Compound                               
Name
(9Z)-Octadecenoic acid;
(Z)-Octadec-9-enoic acid;
Oleate;
Oleic acid
Formula
C18H34O2
Exact mass
282.2559
Mol weight
282.46
Structure
Remark
Same as: D02315
Reaction
R02813 R02814 R08176 R09452 R09462 R09537 R10576
Pathway
map00061  Fatty acid biosynthesis
map00073  Cutin, suberine and wax biosynthesis
map01040  Biosynthesis of unsaturated fatty acids
map01060  Biosynthesis of plant secondary metabolites
map04212  Longevity regulating pathway - worm
Enzyme
1.11.2.3        1.13.11.77      1.14.14.80      3.1.2.2         
3.1.2.14        3.5.1.99        4.2.1.53
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C00712  Oleic acid (18:1;9)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Monounsaturated fatty acids
     C00712  (Z)-Octadec-9-enoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Unsaturated fatty acids
    C00712  Oleic acid
Other DBs
CAS: 112-80-1
PubChem: 3978
ChEBI: 16196
LIPIDMAPS: LMFA01030002
KNApSAcK: C00001232
PDB-CCD: OLA[PDBj]
3DMET: B00158
NIKKAJI: J2.460K
LinkDB
KCF data

ATOM        20
            1   C1b C    23.1055  -16.2032
            2   C1b C    24.3152  -16.9068
            3   C1b C    21.8956  -16.9068
            4   C2b C    25.5311  -16.2032
            5   C1b C    20.6797  -16.2032
            6   C2b C    26.9324  -16.2032
            7   C1b C    19.4761  -16.9068
            8   C1b C    28.1422  -16.9068
            9   C1b C    18.2662  -16.2032
            10  C1b C    29.3519  -16.2032
            11  C1b C    17.0566  -16.9068
            12  C1b C    30.5678  -16.9068
            13  C6a C    15.8467  -16.2032
            14  C1b C    31.7714  -16.2032
            15  O6a O    14.6368  -16.9068
            16  O6a O    15.8467  -14.8019
            17  C1b C    32.9813  -16.9068
            18  C1b C    34.1912  -16.2032
            19  C1b C    35.4008  -16.9068
            20  C1a C    36.6107  -16.2032
BOND        19
            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

» Japanese version

KEGG   COMPOUND: C08281
Entry
C08281                      Compound                               
Name
Docosanoic acid;
Docosanoate;
Behenic acid
Formula
C22H44O2
Exact mass
340.3341
Mol weight
340.58
Structure
Reaction
R08184 R09454
Pathway
map00073  Cutin, suberine and wax biosynthesis
map01040  Biosynthesis of unsaturated fatty acids
Enzyme
1.14.-.-        3.1.2.-
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Saturated fatty acids
    C08281  Behenic acid (22:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C08281  Docosanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C08281  Behenic acid
Other DBs
CAS: 112-85-6
PubChem: 10479
ChEBI: 23858 28941
LIPIDMAPS: LMFA01010022
KNApSAcK: C00001211
PDB-CCD: EO3[PDBj]
3DMET: B02157
NIKKAJI: J2.461I
LinkDB
KCF data

ATOM        24
            1   C1b C    22.8340  -21.5136
            2   C1b C    24.0222  -20.8144
            3   C1b C    21.6231  -20.8294
            4   C1b C    25.2555  -21.4837
            5   C1b C    20.4273  -21.5513
            6   C1b C    26.4965  -20.7843
            7   C1b C    19.1789  -20.8593
            8   C1b C    27.6847  -21.4460
            9   C1b C    17.9680  -21.5664
            10  C1b C    28.9030  -20.7616
            11  C1b C    16.7574  -20.8744
            12  C1b C    30.1289  -21.4386
            13  C1b C    15.5465  -21.6115
            14  C1b C    31.3247  -20.7014
            15  C6a C    14.3055  -20.9121
            16  C1b C    32.5354  -21.3858
            17  O6a O    13.0872  -21.6490
            18  O6a O    14.2582  -19.5734
            19  C1b C    33.7764  -20.6639
            20  C1b C    34.9796  -21.3483
            21  C1b C    36.1905  -20.6563
            22  C1b C    37.4088  -21.3256
            23  C1b C    38.6421  -20.6188
            24  C1a C    39.8606  -21.3031
BOND        23
            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   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1

» Japanese version

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