COMPOUND: C02104
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Entry
C02104 Compound
Name
(S)-Mevalonate;
(S)-Mevalonic acid;
(S)-3,5-Dihydroxy-3-methylvaleric acid
Formula
C6H12O4
Exact mass
148.0736
Mol weight
148.1571
Structure
Mol file
KCF file
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CAS:
32451-23-3
PubChem:
5186
ChEBI:
18790
28880
NIKKAJI:
J5.859I
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KCF data
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ATOM 10
1 O6a O 17.7100 -15.8900
2 C6a C 18.9224 -15.1900
3 C1b C 20.1349 -15.8900
4 C1d C 21.3473 -15.1900
5 C1b C 22.5597 -15.8900
6 C1b C 23.7722 -15.1900
7 O1a O 24.9846 -15.8900
8 O1a O 20.4974 -14.0601
9 C1a C 22.3373 -14.2001
10 O6a O 18.9224 -13.7902
BOND 9
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 4 8 1 #Up
8 4 9 1
9 2 10 2
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