(Q113957438)

English

(E)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

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368.2198887439999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

11-dehydro-thromboxane B2

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(O)C=CC1OC(=O)CC(O)C1CC=CCCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C/CCCC(=O)O)O

1 reference

based on heuristic

inferred from SMILES

Identifiers

InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4+,13-12+/t15-,16-,17-,18+/m0/s1

1 reference

based on heuristic

inferred from SMILES

KJYIVXDPWBUJBQ-SOGWKEBJSA-N

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KJYIVXDPWBUJBQ-SOGWKEBJSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KJYIVXDPWBUJBQ-SOGWKEBJSA-N

0 references

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