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(Q76430980)
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Dihydroxydione 13
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5,13-Dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
421.2286796
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R,5R,6R,10Z,13S,14E)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₅NO₄S
0 references
canonical SMILES
O=C(CC)C(C)C(O)C(C(=O)CCC(=CCC(O)C(=CC=1N=C(SC1)C)C)C)C
0 references
isomeric SMILES
CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC/C(C)=C\CC(O)/C(C)=C/c1csc(C)n1
0 references
found in taxon
Myxococcus xanthus
1 reference
stated in
Isolation and Characterization of New Epothilone Analogues from Recombinant Myxococcus xanthus Fermentations
Identifiers
InChI
InChI=1S/C23H35NO4S/c1-7-20(25)16(4)23(28)17(5)22(27)11-9-14(2)8-10-21(26)15(3)12-19-13-29-18(6)24-19/h8,12-13,16-17,21,23,26,28H,7,9-11H2,1-6H3/b14-8-,15-12+/t16-,17-,21?,23+/m0/s1
0 references
InChIKey
MAZMBUSHGWINCC-RHTYRPEXSA-N
2 references
stated in
PubChem
PubChem CID
139583088
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139583088
language of work or name
English
PubChem CID
139583088
2 references
stated in
PubChem
PubChem CID
139583088
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MAZMBUSHGWINCC-RHTYRPEXSA-N
ChEBI ID
197544
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H35NO4S/c1-7-20(25)16(4)23(28)17(5)22(27)11-9-14(2)8-10-21(26)15(3)12-19-13-29-18(6)24-19/h8,12-13,16-17,21,23,26,28H,7,9-11H2,1-6H3/b14-8-,15-12+/t16-,17-,21?,23+/m0/s1
UniChem compound ID
170906737
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000008
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MAZMBUSHGWINCC-RHTYRPEXSA-N
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