okadaic acid
PubChem Notes:
Okadaic Acid A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. (Thromb Res 1992;67(4):345-54 & Cancer Res 1993;53(2):239-41)
Molecular Formula:
C44H68O13
InChI: InChI=1/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37?,38+,39?,41-,42+,43-,44-/m1/s1/f/h48H
InChIKey: InChIKey=QNDVLZJODHBUFM-WTQPZSOZDQ
SMILES: CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O
Names:
C01945
okadaic acid
(2R)-2-hydroxy-3-[(2S,6R,8S,11R)-11-hydroxy-2-[(E,2R)-4-[(1R,2'R,4S,7S,9R)-7-hydroxy-9-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-8-methylidene-spiro[5,10-dioxabicyclo[4.4.0]decane-4,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methyl-propanoic acid
78111-17-8
Registries:
PubChem CID 11953808
PubChem ID 5049
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