KEGG   COMPOUND: C11348Help
Entry
C11348                      Compound                               

Name
(S)-1-Phenylethanol;
(S)-1-Phenethyl alcohol
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00642  Ethylbenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.1.1.311       1.14.12.12      1.17.99.2
Other DBs
CAS: 1445-91-6
PubChem: 13523
ChEBI: 16346
ChEMBL: CHEMBL348446
PDB-CCD: SS1[PDBj]
NIKKAJI: J56.778G
KCF data Show

ATOM        9
            1   C8y C    28.8585  -16.5863
            2   C8x C    27.6428  -17.2884
            3   C8x C    30.0683  -17.2884
            4   C1c C    28.8585  -15.1834
            5   C8x C    27.6428  -18.6857
            6   C8x C    30.0683  -18.6857
            7   C1a C    30.0742  -14.4884
            8   O1a O    27.6487  -14.4827
            9   C8x C    28.8585  -19.3866
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1
            9     6   9 2

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