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(Q106038926)
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English
7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid
chemical compound
(14E,19Z)-7,16,17-trihydroxydocosa-8,10,12,14,19-pentaenoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
378.2406241879999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC/C=C\CC(O)C(O)/C=C/C=CC=CC=CC(O)CCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC/C=C\CC(O)C(O)/C=C/C=CC=CC=CC(O)CCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H34O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-7,9-10,12,14,17,19-21,23-25H,2,8,11,13,15-16,18H2,1H3,(H,26,27)/b6-4?,7-5?,9-3-,14-10?,17-12+
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
LDVCZYSUILUYKN-OSLFFFSGSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
132472324
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
LDVCZYSUILUYKN-OSLFFFSGSA-N
ChEBI ID
140272
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H34O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-7,9-10,12,14,17,19-21,23-25H,2,8,11,13,15-16,18H2,1H3,(H,26,27)/b6-4?,7-5?,9-3-,14-10?,17-12+
UniChem compound ID
164438334
1 reference
stated in
UniChem
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