COMPOUND: C12430
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Entry
C12430 Compound
Name
13-Dihydrodaunorubicin
Formula
C27H31NO10
Exact mass
529.1948
Mol weight
529.5357
Structure
Mol file
KCF file
DB search
Comment
intermediate of daunorubicin synthesis (see [RN:
R06688
+
R06689
])
The configuration of 13-hydroxyl group is unknown.
The name "13-dihydrodaunorubicin" usually means (13S)-13-Dihydrodaunorubicin [CPD:
C12433
].
Reaction
R06688
R06689
Pathway
map01057
Biosynthesis of type II polyketide products
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.13.181
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1305 Anthracyclinones
C12430 13-Dihydrodaunorubicin
BRITE hierarchy
Other DBs
PubChem:
582820
ChEBI:
31059
LIPIDMAPS:
LMPK13050004
3DMET:
B04510
NIKKAJI:
J86.140E
LinkDB
All DBs
KCF data
Show
ATOM 38
1 O2a O 26.3200 -17.4300
2 C1y C 27.6500 -18.4100
3 C1x C 27.6500 -19.7400
4 O2x O 28.8400 -17.7100
5 C1y C 28.8400 -20.4400
6 C1y C 29.9600 -18.4100
7 C1y C 29.9600 -19.7400
8 N1a N 28.8400 -21.7700
9 C1a C 31.1500 -17.7100
10 O1a O 31.1500 -20.4400
11 C1z C 27.5100 -13.5800
12 O1a O 28.6300 -14.4200
13 C1c C 28.6300 -12.8800
14 O1a O 28.6300 -11.5500
15 C8y C 23.9400 -12.8800
16 C8x C 18.0600 -13.5100
17 C8x C 19.2500 -12.8100
18 C8y C 20.4400 -13.5100
19 C5x C 21.5600 -12.8800
20 C8y C 22.7500 -13.5100
21 C8x C 18.0600 -15.1200
22 C8y C 25.1300 -13.5800
23 C1x C 26.3200 -12.8800
24 C8y C 19.2500 -15.7500
25 C8y C 20.3700 -15.1200
26 C5x C 21.5600 -15.8200
27 C8y C 22.7500 -15.1200
28 C8y C 23.9400 -15.8200
29 C8y C 25.1300 -15.1200
30 C1y C 26.3200 -15.8200
31 C1x C 27.5100 -15.1200
32 O2a O 19.2500 -17.1500
33 O5x O 21.5600 -17.1500
34 O1a O 23.9400 -17.1500
35 O5x O 21.5600 -11.5500
36 O1a O 23.9400 -11.5500
37 C1a C 17.9900 -17.8500
38 C1a C 29.8200 -13.5800
BOND 42
1 20 15 1
2 6 7 1
3 16 21 1
4 15 22 2
5 2 1 1 #Down
6 22 23 1
7 23 11 1
8 11 12 1 #Down
9 21 24 2
10 2 3 1
11 24 25 1
12 11 13 1 #Up
13 25 26 1
14 2 4 1
15 26 27 1
16 13 14 1
17 27 28 1
18 3 5 1
19 28 29 2
20 4 6 1
21 29 30 1
22 5 7 1
23 30 31 1
24 16 17 2
25 24 32 1
26 5 8 1 #Up
27 26 33 2
28 17 18 1
29 28 34 1
30 30 1 1 #Down
31 18 25 2
32 20 27 2
33 22 29 1
34 6 9 1 #Up
35 19 35 2
36 11 31 1
37 18 19 1
38 15 36 1
39 7 10 1 #Up
40 32 37 1
41 19 20 1
42 13 38 1
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