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

Modify Date: 2025-12-01 09:31:18

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 Structure
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 structure
Common 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
CAS Number 24330-90-3 Molecular Weight 1088.09000
Density 1.45g/cm3 Boiling Point N/A
Molecular Formula C43H76N7O17P3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.45g/cm3
Molecular Formula C43H76N7O17P3S
Molecular Weight 1088.09000
Exact Mass 1087.42000
PSA 425.34000
LogP 8.52440
Index of Refraction 1.613
InChIKey OWGHRDKRIGXBJM-QXMHVHEDSA-N
SMILES CCCCCCCCC=CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

 Synonyms

Erucyl-coa
Coenzyme A,erucoyl
Coenzyme A,erucyl
Ercoyl-coenzyme A
Erucyl-coenzyme A
S-docos-12-enoyl-coenzyme-A
Coenzyme A,S-13-docosenoate,(Z)
Erucoyl-coa
S-Erucyl-coenzyme A
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