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Chemical structure of Oleoyl coenzyme A lithium

GC67645

Oleoyl coenzyme A lithium

Oleoyl coenzyme A (Oleoyl-CoA) lithium is a thioester of oleic acid and coenzyme A· Oleoyl coenzyme A lithium has a role as an Escherichia coli metabolite and a mouse metabolite

ChemicalCAS188824-37-5MW1038.92FormulaC39H68LiN7O17P3S
CAS number
188824-37-5
Molecular weight
1038.92
Formula
C39H68LiN7O17P3S
InChIKey
PHQSZFRUVQXHNS-NMGRLVKYSA-N
Catalogue number
GC67645
Brand
GLPBIO
Computed properties PubChem CID 131875407 · TPSA 389 Ų · H-bond donors 9 · H-bond acceptors 22
TPSA
389 Ų
H-bond donors
9
H-bond acceptors
22
Rotatable bonds
35
Heavy atoms
68

SMILES [Li].CCCCCCCC/C=C\CCCCCCCC(=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 131875407), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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