Mol:
1264-52-4.mol by:chem960.com
ChemDraw08031019472D
…………
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1.2700 27.4232 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
0.3470 28.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 26.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 26.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3339 28.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5008 27.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8625 26.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0364 27.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2042 26.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.2831 27.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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10.5638 24.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2042 25.1486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2376 29.0403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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辛酰基辅酶A Smile 编码:
CCCCCCCC(SCCNC(CCNC([C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C=NC3=C(N=CN=C23)N)[C@H](O)[C@@H]1OP(=O)(O)O)(O)=O)(O)=O)(C)C)O)=O)=O)=O
辛酰基辅酶A InChi 编码:
辛酰基辅酶A InChiKey 编码:
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