KEGG   COMPOUND: C16421Help
Entry
C16421                      Compound                               

Name
AI-2;
Autoinducer 2
Formula
C5H10BO7
Exact mass
193.052
Mol weight
192.9397
Structure
Mol fileKCF fileDB search
Pathway
map02010  ABC transporters
map02020  Two-component system
map02024  Quorum sensing
map05111  Biofilm formation - Vibrio cholerae
Other DBs
PubChem: 47205719
ChEBI: 40646
ChEMBL: CHEMBL1230903
PDB-CCD: AI2[PDBj]
NIKKAJI: J1.691.576I
KCF data Show

ATOM        13
            1   C1z C    18.1431  -16.6666
            2   C1z C    19.5440  -16.6666
            3   O2x O    19.9768  -15.3343
            4   Z   B    18.8435  -14.5109 #-
            5   O2x O    17.7102  -15.3343
            6   C1y C    17.7102  -17.9990
            7   C1x C    18.8435  -18.8224
            8   O2x O    19.9768  -17.9990
            9   C1a C    20.9449  -16.6666
            10  O1a O    16.7422  -16.6666
            11  O1a O    16.3897  -18.4281
            12  O1a O    17.8530  -13.5203
            13  O1a O    19.8341  -13.5203
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    2   9 1 #Down
            11    1  10 1 #Down
            12    6  11 1 #Down
            13    4  12 1
            14    4  13 1

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