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Valilactone
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
397.282823348
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₉NO₅
0 references
canonical SMILES
CCCCCCC1C(=O)OC1CC(CCCCC)OC(=O)C(NC=O)C(C)C
0 references
isomeric SMILES
CCCCCC[C@H]1[C@@H](OC1=O)C[C@H](CCCCC)OC(=O)[C@H](C(C)C)NC=O
0 references
found in taxon
Streptomyces
2 references
stated in
Valilactone, an inhibitor of esterase, produced by actinomycetes
stated in
Valilactone, an inhibitor of esterase, produced by actinomycetes
Identifiers
InChI
InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
0 references
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
0 references
CAS Registry Number
113276-96-3
1 reference
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=113276-96-3
PubChem CID
195004
1 reference
matched by identifier from
InChIKey
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
ChEBI ID
222239
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
UniChem compound ID
301130
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80921027
1 reference
matched by identifier from
InChIKey
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
DSSTOX compound identifier
DTXCID801349928
0 references
Natural Product Atlas ID
NPA020810
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
Probes And Drugs ID
PD043671
0 references
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