KEGG   COMPOUND: C09023Help
Entry
C09023                      Compound                               

Name
Agroclavine
Formula
C16H18N2
Exact mass
238.147
Mol weight
238.3275
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09023  Agroclavine
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Ergot alkaloids
    C09023  Agroclavine
BRITE hierarchy
Other DBs
CAS: 548-42-5
PubChem: 11215
ChEBI: 2519
ChEMBL: CHEMBL449081 CHEMBL481772
KNApSAcK: C00001677
3DMET: B02621
NIKKAJI: J6.445I
KCF data Show

ATOM        18
            1   C8y C    27.6961  -18.6350
            2   C8y C    27.7018  -17.2772
            3   C8y C    28.8705  -19.3234
            4   C8y C    26.5215  -19.3175
            5   C1y C    28.8822  -16.6062
            6   C8x C    26.5274  -16.6005
            7   C1x C    30.0508  -18.6538
            8   C8x C    28.8705  -20.6242
            9   N4x N    26.5157  -20.6766
            10  C8x C    25.3587  -18.6350
            11  C1y C    30.0508  -17.2946
            12  C2x C    28.8938  -15.2601
            13  C8x C    25.3587  -17.2772
            14  N1y N    31.2383  -16.6367
            15  C2y C    30.0813  -14.5834
            16  C1x C    31.2500  -15.2775
            17  C1a C    32.3951  -17.3005
            18  C1a C    30.0754  -13.2254
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 2
            15   14  16 1
            16   14  17 1
            17   15  18 1
            18    7  11 1
            19    8   9 1
            20   10  13 2
            21   15  16 1

» Japanese version

DBGET integrated database retrieval system