KEGG   COMPOUND: C21343Help
Entry
C21343                      Compound                               

Name
Orsellinate-[acp]
Formula
C8H7O3SR
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
2.1.1.-         2.3.1.-
Other DBs
PubChem: 319902582
KCF data Show

ATOM        13
            1   S2a S    12.9500  -20.2300
            2   C8x C     8.1200  -20.2300
            3   C8y C     8.1200  -21.6300
            4   C8x C     9.3100  -22.3300
            5   C8y C    10.5700  -21.6300
            6   C8y C    10.5700  -20.2300
            7   C8y C     9.3100  -19.5300
            8   C5a C    11.7600  -19.5300
            9   O5a O    11.7600  -18.1300
            10  C1a C     9.3100  -18.1300
            11  O1a O    11.7600  -22.3300
            12  O1a O     6.9300  -22.3300
            13  R   R    14.3500  -20.2300
BOND        13
            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    1  13 1

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