KEGG   COMPOUND: C10811Help
Entry
C10811                      Compound                               

Name
Jervine
Formula
C27H39NO3
Exact mass
425.293
Mol weight
425.6035
Structure
Mol fileKCF fileDB search
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10811  Jervine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Steroid alkaloids
    C10811  Jervine
BRITE hierarchy
Other DBs
CAS: 469-59-0
PubChem: 12994
ChEBI: 6088
ChEMBL: CHEMBL1717145 CHEMBL186779
LipidBank: SST0249
KNApSAcK: C00002253
3DMET: B04145
NIKKAJI: J5.926I
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    28.6559  -19.9609
            2   O2x O    30.0509  -19.9603
            3   C1y C    28.2263  -18.6414
            4   C1x C    21.1028  -23.1515
            5   C1y C    21.1028  -24.5533
            6   C1x C    22.3207  -25.2506
            7   C1x C    22.3207  -22.4471
            8   C1z C    23.5312  -23.1515
            9   C2y C    23.5253  -24.5533
            10  C2x C    24.7372  -25.2557
            11  C1x C    25.9550  -24.5636
            12  C1y C    24.7490  -22.4524
            13  C1y C    25.9660  -23.1624
            14  C5x C    25.0437  -21.0775
            15  C2y C    26.4425  -20.9350
            16  C1y C    27.0023  -22.2160
            17  C1x C    28.3925  -22.3682
            18  C1x C    29.2229  -21.2395
            19  C2y C    27.2660  -19.8063
            20  C1y C    29.3556  -17.8181
            21  C1y C    30.4823  -18.6387
            22  C1x C    31.7538  -18.0690
            23  C1y C    31.8985  -16.6855
            24  C1x C    30.7718  -15.8719
            25  N1x N    29.5004  -16.4346
            26  C1a C    23.5189  -21.7498
            27  C1a C    26.5546  -18.5873
            28  C1a C    27.5195  -17.4180
            29  C1a C    33.1052  -15.9741
            30  O1a O    19.8844  -25.2435
            31  O5x O    24.0400  -20.0805
BOND        36
            1     3   1 1
            2    15  16 1
            3    16  17 1
            4    17  18 1
            5    18   1 1
            6     1  19 1
            7    19  15 2
            8     1   2 1 #Up
            9     2  21 1
            10    8   9 1
            11    9  10 2
            12   10  11 1
            13   11  13 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  24 1
            18   24  25 1
            19   25  20 1
            20   12   8 1
            21    8  26 1 #Up
            22   20   3 1
            23    4   5 1
            24    5   6 1
            25   12  13 1
            26   19  27 1
            27   13  16 1
            28    3  28 1 #Down
            29   15  14 1
            30   14  12 1
            31   23  29 1 #Up
            32    6   9 1
            33    8   7 1
            34    5  30 1 #Up
            35    7   4 1
            36   14  31 2

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