Viewing Compound With Structures

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Compound Report Overview

Compound Name: PENTRINITROL
Compound Identifier: 704918
Mol Structure 2D: 704918
Molecular Weight: 271
Formula: C5 H9 N3 O10
Development Status: Preclinical
SMILES: OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222322D 0 0.00000 0.00000 0^^ 18 17 0 0 0 999 V2000^ 0.0000 2.6458 0.0000 N 0 3 0 0 0 0 0 0 0^ 1.7792 0.8875 0.0000 N 0 3 0 0 0 0 0 0 0^ 0.0000 -2.7542 0.0000 N 0 3 0 0 0 0 0 0 0^ -0.9500 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.9500 3.1750 0.0000 O 0 5 0 0 0 0 0 0 0^ 2.3167 1.8083 0.0000 O 0 5 0 0 0 0 0 0 0^ 0.9167 -3.2917 0.0000 O 0 5 0 0 0 0 0 0 0^ 0.9417 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9500 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3167 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0000 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6792 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0000 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9500 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1417 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9500 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0208 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5583 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 12 1 0 0 0^ 3 13 1 0 0 0^ 4 14 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 3 1 0 0 0^ 8 1 2 0 0 0^ 9 3 2 0 0 0^ 10 2 2 0 0 0^ 11 1 1 0 0 0^ 12 15 1 0 0 0^ 13 16 1 0 0 0^ 14 11 1 0 0 0^ 15 4 1 0 0 0^ 16 4 1 0 0 0^ 17 4 1 0 0 0^ 18 17 1 0 0 0^M CHG 6 1 1 2 1 3 1 5 -1 6 -1 7 -1^M END^^
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