KEGG   COMPOUND: C11449Help
Entry
C11449                      Compound                               

Name
(S)-3-Chloro-4,5-dihydroxy-beta-phenylalanyl-[pcp];
(3S)-3-Amino-3-(3-chloro-4,5-dihydroxyphenyl)propanoyl-[peptidyl-carrier protein]
Formula
C9H9ClNO3SR
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
R = PCP (peptidyl-carrier protein)
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00827  C-1027 beta-amino acid moiety biosynthesis, tyrosine => 3-chloro-4,5-dihydroxy-beta-phenylalanyl-PCP
Enzyme
Other DBs
PubChem: 13621
ChEBI: 1451
KCF data Show

ATOM        16
            1   C8y C    14.4900  -15.4700
            2   C8y C    14.4900  -16.8700
            3   C8y C    15.7500  -17.5700
            4   C8x C    16.9400  -16.8700
            5   C8y C    16.9400  -15.4700
            6   C8x C    15.7500  -14.7700
            7   O1a O    13.3000  -17.5700
            8   C1c C    18.2000  -14.7700
            9   C1b C    19.3900  -15.4700
            10  C5a C    20.5800  -14.7700
            11  N1a N    18.2000  -13.3700
            12  S2a S    21.7700  -15.4700
            13  O5a O    20.5800  -13.3700
            14  X   Cl   15.7500  -19.0400
            15  R   R    23.1700  -15.4700
            16  O1a O    13.3000  -14.7700
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 1 #Up
            12   10  12 1
            13   10  13 2
            14    3  14 1
            15   12  15 1
            16    1  16 1

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