MetaADEDB 2.0 @ LMMD
cobamamide
(OAJLVMGLJZXSGX-SLAFOUTOSA-L)
Structure
SMILES
[CH2-][C@H]1O[C@@H]([C@H]([C@H]1O)O)n1cnc2c1ncnc2N.OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(O[C@@H](CNC(=O)CC[C@@]1(C)/C/2=C(\C)/C3=N/C(=C\C4=N/C(=C(\C5=N[C@]([C@@H]([C@@H]1CC(=O)N)[N-]2)(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)/C)/[C@@]([C@@H]4CCC(=O)N)(C)CC(=O)N)/C([C@@H]3CCC(=O)N)(C)C)C)[O-])O)n1cnc2c1cc(C)c(c2)C.[Co+3]
Molecular Formula:
C72H100CoN18O17P
Molecular Weight:
1579.580
Log P:
6.0585
Hydrogen Bond Acceptor:
34
Hydrogen Bond Donor:
12
TPSA:
579.94
CAS Number(s):
13870-90-1
Synonym(s)
1.
cobamamide
2.
3',4'-anhydroadenosylcobalamin
3.
5'-deoxyadenosylcobalamin
4.
AdoCbl
5.
Indusil T
6.
adenosylcobalamin
7.
coenzyme B12
8.
desoxyadenosylcobalamine
9.
dibencozide
10.
vitamin B12 coenzyme
External Link(s)
MeSHC000913
PubChem Compound25199905
91971126
6474320
Adverse Drug Event(s)
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