Structure

Phenylacetyl coenzyme a lithium

CAS
108321-26-2
Catalog Number
ACM108321262
Category
Other Products
Molecular Weight
885.67
Molecular Formula
C29H42N7O17P3S

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Specification

Synonyms
phenyl acetyl Coa, S00346a, AC1O4WCE, P2153_SIGMA, Phenylacetyl coenzyme A lithium salt, Phenylacetyl coenzyme-?A lithium salt, 108321-26-2, 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-phenylethanethioate; lithium
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-phenylethanethioate;lithium
SMILES
[Li].CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O
InChI Key
PQZFFEIEACTQRR-UHFFFAOYSA-N
Exact Mass
892.17300
H-Bond Acceptor
22
H-Bond Donor
9
WGK Germany
3

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