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Chemical structure of heptadecanoyl-CoA

GC75140

heptadecanoyl-CoA

Also listed as Heptadecanoyl Coenzyme A

Heptadecanoyl Coenzyme A (Heptadecanoyl-CoA), long-chain acyl-coenzymes A (acyl-CoAs) (LCACoA), is an intermediate in lipid metabolism

ChemicalCAS3546-17-6MW1019.97FormulaC38H68N7O17P3S
CAS number
3546-17-6
Molecular weight
1019.97
Formula
C38H68N7O17P3S
Solubility
H2O： 20 mg/mL (19·61 mM; Need ultrasonic and warming)
InChIKey
DRABUZIHHACUPI-DUPKZGIXSA-N
Catalogue number
GC75140
Brand
GLPBIO
Computed properties PubChem CID 3082004 · XLogP 2.2 · TPSA 389 Ų · H-bond donors 9
XLogP
2.2
TPSA
389 Ų
H-bond donors
9
H-bond acceptors
22
Rotatable bonds
35
Heavy atoms
66

SMILES CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed descriptors from PubChem (CID 3082004), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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