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(Q75065060)
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Protoconstipatic acid
bioactive natural product
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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
Tetrahydro-2-(14-hydroxypentadecyl)-4-methylene-5-oxo-3-furancarboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
368.256274252
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Allo-murolic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Murolic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3S)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₆O₅
0 references
canonical SMILES
O=C1OC(CCCCCCCCCCCCCC(O)C)C(C(=O)O)C1=C
0 references
isomeric SMILES
C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)O
0 references
found in taxon
Lecanora frustulosa
1 reference
stated in
Glycosidic compounds of murolic, protoconstipatic and allo-murolic acids from lichens of Central Asia
Xanthoparmelia camtschadalis
1 reference
stated in
Glycosidic compounds of murolic, protoconstipatic and allo-murolic acids from lichens of Central Asia
Xanthoparmelia tinctina
1 reference
stated in
Glycosidic compounds of murolic, protoconstipatic and allo-murolic acids from lichens of Central Asia
Identifiers
InChI
InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18-,19+/m0/s1
0 references
InChIKey
UYUDMGMNHAKPEV-YTQUADARSA-N
2 references
stated in
PubChem
PubChem CID
194489
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
194489
language of work or name
English
CAS Registry Number
73036-29-0
0 references
PubChem CID
194489
2 references
stated in
PubChem
PubChem CID
194489
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UYUDMGMNHAKPEV-YTQUADARSA-N
ChEBI ID
199262
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18-,19+/m0/s1
UniChem compound ID
66577184
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60223314
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
UYUDMGMNHAKPEV-YTQUADARSA-N
DSSTOX compound identifier
DTXCID60145805
0 references
Natural Product Atlas ID
NPA001997
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UYUDMGMNHAKPEV-YTQUADARSA-N
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