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(Q59342392)
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English
11-trans leukotriene D4
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
leukotriene
0 references
mass
496.26070799999985
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
leukotriene D4
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(5S,6R)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₅H₄₀N₂O₆S
0 references
canonical SMILES
CCCCCC=CCC=CC=CC=CC(SCC(N)C(=O)NCC(=O)O)C(O)CCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(/C/C=C\CCCCC)=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
0 references
Identifiers
InChI
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t20-,21-,22+/m0/s1
0 references
InChIKey
YEESKJGWJFYOOK-KJGJJCHRSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
5283135
1 reference
matched by identifier from
InChIKey
InChIKey
YEESKJGWJFYOOK-KJGJJCHRSA-N
ChEBI ID
140493
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t20-,21-,22+/m0/s1
UniChem compound ID
53929965
1 reference
stated in
UniChem
Probes And Drugs ID
PD021017
0 references
LIPID MAPS ID
LMFA03020021
0 references
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