KEGG   COMPOUND: C01499Help
Entry
C01499                      Compound                               

Name
Geranial;
trans-Citral
Formula
C10H16O
Exact mass
152.1201
Mol weight
152.2334
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00281  Geraniol degradation
map01062  Biosynthesis of terpenoids and steroids
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Enzyme
1.1.1.183       1.1.1.347       1.2.1.86
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010201 Acyclic monoterpenoids
     C01499  Geranial
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Linear monoterpenes
    C01499  Geranial
Major components of natural products [BR:br08323]
 Medicinal herbs
  Lemon grass
   C01499  Geranial
BRITE hierarchy
Other DBs
CAS: 141-27-5 5392-40-5
PubChem: 4668
ChEBI: 16980
ChEMBL: CHEMBL1080997
LIPIDMAPS: LMPR0102010003
KNApSAcK: C00003035 C00035822
PDB-CCD: GRQ[PDBj]
3DMET: B00306
NIKKAJI: J2.026E J3.073B
LinkDB All DBs
KCF data Show

ATOM        11
            1   C2c C    29.2172  -19.8798
            2   C1b C    28.0010  -20.5811
            3   C2b C    30.4267  -20.5811
            4   C1a C    29.2172  -18.4836
            5   C1b C    26.7915  -19.8798
            6   C4a C    31.6362  -19.8798
            7   C2b C    25.5819  -20.5811
            8   O4a O    32.8523  -20.5811
            9   C2c C    24.3659  -19.8798
            10  C1a C    23.1562  -20.5811
            11  C1a C    24.3659  -18.4836
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 2
            9     9  10 1
            10    9  11 1

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