KEGG   COMPOUND: C21346Help
Entry
C21346                      Compound                               

Name
3-Hydroxy-5-iodo-2-methoxyorsellinate-[acp]
Formula
C9H8IO4SR
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00833  Calicheamicin biosynthesis, calicheamicinone => calicheamicin
M00834  Calicheamicin orsellinate moiety biosynthesis, malonyl-CoA => orsellinate-ACP => 5-iodo-2,3-dimethoxyorsellinate-ACP
Enzyme
1.14.-.-        2.1.1.-
Other DBs
PubChem: 319902585
KCF data Show

ATOM        16
            1   S2a S    12.9500  -19.5300
            2   C8y C     8.1200  -19.5300
            3   C8y C     8.1200  -20.9300
            4   C8y C     9.3100  -21.6300
            5   C8y C    10.5700  -20.9300
            6   C8y C    10.5700  -19.5300
            7   C8y C     9.3100  -18.8300
            8   C5a C    11.7600  -18.8300
            9   O5a O    11.7600  -17.4300
            10  C1a C     9.3100  -17.4300
            11  O2a O    11.7600  -21.6300
            12  O1a O     6.9300  -21.6300
            13  C1a C    12.9781  -20.9399
            14  X   I     6.9047  -18.8349
            15  O1a O     9.2928  -23.0299
            16  R   R    14.3500  -19.5300
BOND        16
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     8   1 1
            9     8   9 2
            10    7  10 1
            11    5  11 1
            12    3  12 1
            13   11  13 1
            14    2  14 1
            15    4  15 1
            16    1  16 1

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