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(Q105380808)
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English
3-[1,4,4-Tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
484.230847352
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₆O₁₀
0 references
canonical SMILES
O=C(O)CCC1(C(=O)C(=O)C(CCC(=O)O)(CCC(=O)O)CCCCCCCC1)CCC(=O)O
0 references
found in taxon
Lactobacillus plantarum
1 reference
stated in
Further characterization of bacteriocins Plantaricin BN, bavaricin MN and pediocin A
Identifiers
InChI
InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
0 references
InChIKey
ZPAOCLAKRURAOZ-UHFFFAOYSA-N
0 references
PubChem CID
380907
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
169141
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
UniChem compound ID
27206666
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038238
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZPAOCLAKRURAOZ-UHFFFAOYSA-N
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