Viewing Compound With Structures

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Compound Report Overview

Compound Name: LEUKOTRIENE D4
Compound Identifier: 704546
Mol Structure 2D: 704546
Molecular Weight: 497
Formula: C25 H40 N2 O6 S
Development Status: Biochemical standard
SMILES: CCCCCC=CCC=CC=CC=CC(SCC(N)C(=O)NCC(=O)O)C(O)CCCC(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222142D 0 0.00000 0.00000 0^^ 34 33 0 1 0 999 V2000^ -1.6375 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9583 -0.1875 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6375 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.2833 0.9375 0.0000 S 0 0 0 0 0 0 0 0 0^ -2.3083 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5833 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2708 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7292 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3792 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0375 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0000 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5708 2.9000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2708 1.7000 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.3083 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6917 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3292 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3083 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9208 2.0958 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.6750 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2500 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9208 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6792 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9208 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2458 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9792 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 7 1 0 0 0^ 5 17 1 0 0 0^ 6 27 1 0 0 0^ 7 2 1 0 0 0^ 8 1 2 0 0 0^ 9 11 1 0 0 0^ 10 9 2 0 0 0^ 11 15 2 0 0 0^ 12 10 1 0 0 0^ 13 5 2 0 0 0^ 14 6 2 0 0 0^ 15 16 1 0 0 0^ 16 4 1 1 0 0^ 17 3 1 0 0 0^ 18 12 2 0 0 0^ 19 26 1 0 0 0^ 20 19 2 0 0 0^ 2 21 1 6 0 0^ 22 16 1 0 0 0^ 23 5 1 0 0 0^ 24 6 1 0 0 0^ 22 25 1 6 0 0^ 26 18 1 0 0 0^ 27 28 1 0 0 0^ 28 30 1 0 0 0^ 29 20 1 0 0 0^ 30 22 1 0 0 0^ 31 29 1 0 0 0^ 32 33 1 0 0 0^ 33 31 1 0 0 0^ 34 32 1 0 0 0^M END^^
Structure View
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