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Chemical structure of Oligomycin A

GC16859

Oligomycin A

Also known as (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione

Oligomycin A is an inhibitor of ATP synthase, which inhibits the process taking place on mitochondria coupling membrane that depended on ATP and oxidative phosphorylation

ChemicalCAS579-13-5MW791.06FormulaC45H74O11
CAS number
579-13-5
Molecular weight
791.06
Formula
C45H74O11
Solubility
≥ 9·9mg/mL in DMSO, ≥ 17·43 mg/mL in EtOH
InChIKey
MNULEGDCPYONBU-QECWTJOCSA-N
Catalogue number
GC16859
Brand
GLPBIO
Computed properties PubChem CID 5472285 · XLogP 7.1 · TPSA 180 Ų · H-bond donors 5
XLogP
7.1
TPSA
180 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
56

SMILES CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C

Computed descriptors from PubChem (CID 5472285), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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