COMPOUND: C18193
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Entry
C18193 Compound
Name
Vitamin D5;
(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol
Formula
C29H48O
Exact mass
412.3705
Mol weight
412.6908
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST03 Secosteroids
ST0304 Vitamin D5 and derivatives
C18193 Vitamin D5
BRITE hierarchy
Other DBs
CAS:
71761-06-3
PubChem:
96024409
ChEBI:
33279
LIPIDMAPS:
LMST03040002
NIKKAJI:
J39.466A
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KCF data
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ATOM 30
1 C1x C 24.1293 -21.6203
2 C1y C 24.1293 -22.9865
3 C1x C 25.2906 -23.6696
4 C1x C 26.5203 -22.9865
5 C2y C 26.5203 -21.6203
6 C2y C 25.2906 -20.9371
7 C2b C 25.2906 -19.5709
8 C2b C 26.5203 -18.8878
9 C2y C 26.5203 -17.5216
10 C1y C 27.6816 -16.8384
11 C1z C 27.6816 -15.4722
12 C1x C 26.5203 -14.7891
13 C1x C 25.2906 -15.4722
14 C1x C 25.2906 -16.8384
15 C1x C 30.0725 -16.8384
16 C1x C 30.0725 -15.4722
17 C1y C 28.9112 -14.7891
18 C1c C 28.9112 -13.4229
19 C1b C 30.1408 -12.7397
20 C1b C 31.3021 -13.4229
21 C1c C 32.4634 -12.7397
22 C1c C 33.6930 -13.4229
23 C1a C 34.8543 -12.7397
24 C1b C 32.4466 -11.3736
25 C1a C 33.7098 -14.7890
26 C1a C 31.2678 -10.7122
27 C2a C 27.6978 -20.9274
28 O1a O 22.9434 -23.6648
29 C1a C 27.7280 -12.7397
30 C1a C 27.6816 -14.1060
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 1
16 10 15 1
17 15 16 1
18 16 17 1
19 11 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 21 24 1 #Up
27 22 25 1
28 24 26 1
29 5 27 2
30 2 28 1 #Down
31 18 29 1 #Down
32 11 30 1 #Up
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