levuglandin D2 (Q6535854)

Levuglandin D2 (English)

(8S,12R)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid

6 October 2016

stereoisomer of

2 references

(8R,12S)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid

2 references

(8R,12S)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid

2 references

(8S,12R)-9,10-seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid

1 reference

chemical formula

C₂₀H₃₂O₅

1 reference

Levuglandin D2 (English)

6 October 2016

canonical SMILES

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

1 reference

Levuglandin D2 (English)

6 October 2016

isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]([C@@H](C/C=C\CCCC(=O)O)C=O)C(=O)C)O

1 reference

Levuglandin D2 (English)

InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

Levuglandin D2 (English)

MLLWPVVMXGUOHD-QNUMDXCLSA-N

6 October 2016

InChIKey

2 references

Levuglandin D2 (English)

imported from Wikimedia project

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

91712-44-6

2 references

Serbo-Croatian Wikipedia

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=91712-44-6

InChIKey

MLLWPVVMXGUOHD-QNUMDXCLSA-N

1 reference

Levuglandin D2 (English)

6 October 2016

1 reference

Levuglandin D2 (English)

6 October 2016

ChEBI ID

34820

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

levuglandin D2 (English)

6 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID20380376

0 references

Human Metabolome Database ID

HMDB0002400

1 reference

1 reference