Rule bt0128

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Pattern 4173
1-Sulfo-2-unsubstituted aromatic -> vic-Dihydroxyaromatic + Sulfonite
1-unsubstituted-2-Sulfoaromatic -> vic-Dihydroxyaromatic + Sulfonite

Aerobic Likelihood:              Neutral

EAWAG-BBD Reaction(s):
6-Amino-2-naphthalenesulfonic acid -----> 6-Amino-1,2-dihydroxynaphthalene (reacID# r0812)
Naphthalene-1,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0323)
Naphthalene-1-sulfonate -----> 1,2-Dihydroxynaphthalene (reacID# r0320)
Naphthalene-2,6-disulfonate -----> 1,2-Dihydroxynaphthalene-6-sulfonate (reacID# r0322)
Naphthalene-2-sulfonate -----> 1,2-Dihydroxynaphthalene (reacID# r0318)
4-Sulfobenzoate -----> 3,4-Dihydroxybenzoate (reacID# r0293)
4-Sulfophenol -----> 1,2,4-Benzenetriol (reacID# r1460)
Toluene-4-sulfonate -----> 4-Methylcatechol (reacID# r0294)
Toluene-4-sulfonate -----> 4-Methylcatechol (reacID# r0295)

Also handles fused rings; all fused aromatic ring products with hydroxyl at 2,3 position are excluded.

bt0005: vic-unsubstituted Aromatic --> vic-Dihydroxyaromatic
bt0255: vic-Dihydrodihydroxyaromatic --> vic-Dihydroxyaromatic

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Page Author(s): Bo Kyeng Hou, Dave Roe, Jiun-guo Yu, Rachael Long and Michael Turnbull
June 17, 2010

This is the EAWAG-BBD biotransformation rule, ruleID# bt0128.
It was generated on May 23, 2024 9:00:01 AM CDT.

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