COMPOUND: C21727
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Entry
C21727 Compound
Name
(13E)-Labda-7,13-dien-15-yl diphosphate;
(13E)-Labda-7,13-dienyl diphosphate
Formula
C20H36O7P2
Exact mass
450.1936
Mol weight
450.44
Structure
Mol file
KCF file
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Reaction
R11859
R11871
Enzyme
4.2.3.192
5.5.1.30
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010403 Labdane and halimane diterpenoids
C21727 (13E)-Labda-7,13-dien-15-yl diphosphate
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Other DBs
PubChem:
350078304
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KCF data
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ATOM 29
1 C1z C 13.6979 -15.7584
2 C1y C 13.6917 -17.1237
3 C1y C 14.8901 -15.0850
4 C1x C 12.5118 -15.0789
5 C1a C 13.7547 -14.4117
6 C1z C 12.5118 -17.8093
7 C1x C 14.8777 -17.8157
8 C2y C 16.0577 -15.7707
9 C1b C 14.8963 -13.7199
10 C1x C 11.3319 -15.7584
11 C1x C 11.3319 -17.1237
12 C1a C 13.1265 -19.3268
13 C1a C 11.9457 -19.3268
14 C2x C 16.0577 -17.1361
15 C1b C 16.6140 -13.0404
16 C2c C 18.1299 -13.7384
17 C2b C 18.1169 -15.0912
18 C1a C 19.3098 -13.0650
19 C1b C 19.3545 -15.7770
20 O2b O 20.5405 -15.1160
21 P1b P 21.8997 -15.1097
22 O2c O 23.2649 -15.1097
23 O1c O 21.8936 -13.7446
24 O1c O 21.8936 -16.4750
25 P1b P 24.6302 -15.1097
26 O1c O 25.9954 -15.1097
27 O1c O 24.6219 -13.7446
28 O1c O 24.6219 -16.4750
29 C1a C 17.2051 -15.0741
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 6 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 9 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 8 14 2
29 10 11 1
30 8 29 1
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