KEGG   COMPOUND: C11060
Entry
C11060                      Compound                               
Name
(-)-Abscisic acid;
(-)-ABA
Formula
C15H20O4
Exact mass
264.1362
Mol weight
264.3169
Structure
Comment
(-) enantiomer of Abscisic acid [CPD:C06082]
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010305 Cyclofarnesane sesquiterpenoids
     C11060  (-)-Abscisic acid
Other DBs
PubChem: 13242
ChEBI: 28937
LIPIDMAPS: LMPR0103050008
PDB-CCD: A9S[PDBj]
NIKKAJI: J231.877F
LinkDB
KCF data

ATOM        19
            1   C1x C    25.2602  -16.9300
            2   C5x C    25.2602  -18.3330
            3   C2x C    26.4790  -19.0309
            4   C2y C    27.6908  -18.3330
            5   C1z C    27.6908  -16.9300
            6   C1z C    26.4790  -16.2251
            7   C2b C    28.8980  -16.2321
            8   C2b C    30.1105  -16.9371
            9   C2c C    31.3231  -16.2392
            10  C2b C    32.5286  -16.9442
            11  C6a C    32.5286  -18.3401
            12  O6a O    33.7413  -19.0309
            13  O5x O    24.0405  -19.0238
            14  C1a C    28.8980  -19.0309
            15  C1a C    27.6854  -15.3801
            16  C1a C    25.2531  -15.5272
            17  C1a C    31.3160  -14.8362
            18  O1a O    28.8980  -17.8379
            19  O6a O    31.3160  -19.0309
BOND        19
            1     3   4 2
            2     9  10 2
            3     4   5 1
            4    10  11 1
            5     5   6 1
            6    11  12 1
            7     6   1 1
            8     2  13 2
            9     4  14 1
            10    5   7 1 #Down
            11    6  15 1
            12    1   2 1
            13    6  16 1
            14    7   8 2
            15    9  17 1
            16    2   3 1
            17    5  18 1 #Up
            18    8   9 1
            19   11  19 2

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