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Structure

ERUCOYL COENZYME A (C22:1) FREE*ACID 85- 90%

CAS
24330-90-3
Catalog Number
ACM24330903
Category
Other Products
Molecular Weight
1088.086526 [g/mol]
Molecular Formula
C43H76N7O17P3S

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Specification

Synonyms
Erucyl-coenzyme A, Erucoyl-coa, Erucyl-coa, Ercoyl-coenzyme A, S-Erucyl-coenzyme A, Coenzyme A, erucyl-, Coenzyme A, erucoyl-, AC1O5ZM5, Coenzyme A, S-13-docosenoate, (Z)-, 24330-90-3, 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] (Z)-docos-13-enethioate
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] (Z)-docos-13-enethioate
Canonical SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=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
OWGHRDKRIGXBJM-QXMHVHEDSA-N
Density
1.45g/cm³
Exact Mass
1087.42000
H-Bond Acceptor
22
H-Bond Donor
9
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