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(Q105344693)
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English
(5R,6S,9R)-5,6,9-trihydroxyoctadec-7-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
fatty acid
0 references
mass
330.2406241879999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(5R,6S,7E,9R)-5,6,9-trihydroxyoctadec-7-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₄O₅
0 references
canonical SMILES
O=C(O)CCCC(O)C(O)C=CC(O)CCCCCCCCC
0 references
isomeric SMILES
CCCCCCCCC[C@@H](O)C=C[C@H](O)[C@H](O)CCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-10-15(19)13-14-17(21)16(20)11-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1
0 references
InChIKey
XYVMMUYIQOLBNH-ZACQAIPSSA-N
0 references
PubChem CID
162972057
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYVMMUYIQOLBNH-ZACQAIPSSA-N
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