c4:0

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Catalog Number
ACM103404951
Product Name
c4:0
Structure
Structure
CAS
103404-95-1
Category
Heterocyclic Organic Compound
Synonyms
ISOBUTYRYL COENZYME A LITHIUM SALT;C4:0;ISOBUTYRYL COENZYME A (C4:0) LITHIUM;coenzyme A isobutyryl derivative (C4:0), lithium salt
IUPAC Name
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate;lithium
Molecular Weight
843.56
Molecular Formula
C25H41LiN7O17P3S
Canonical SMILES
[Li].CC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
InChI Key
PGPHNCUNIGLUCX-UHFFFAOYSA-N
Exact Mass
844.17300
H-Bond Acceptor
22
H-Bond Donor
9
WGK Germany
3
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