13,14-dihydro-15-oxo-prostaglandin E2(1-) (Q27124654)

13,14-dihydro-15-oxo-prostaglandin E2 (English)

6 October 2016

chemical formula

C₂₀H₃₁O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(=O)CCC1C(CC(=O)C1CC=CCCCC(=O)[O-])O

1 reference

13,14-dihydro-15-oxo-prostaglandin E2 (English)

6 October 2016

isomeric SMILES

CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O

1 reference

13,14-dihydro-15-oxo-prostaglandin E2 (English)

InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/p-1/b7-4-/t16-,17-,19-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

13,14-dihydro-15-oxo-prostaglandin E2 (English)

CUJMXIQZWPZMNQ-XYYGWQPLSA-M

6 October 2016

InChIKey

2 references

13,14-dihydro-15-oxo-prostaglandin E2 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z,11alpha)-11-Hydroxy-9,15-dioxoprost-5-en-1-oate (English)

6 October 2016

2 references

13,14-dihydro-15-oxo-prostaglandin E2 (English)

matched by identifier from

6 October 2016

InChIKey

CUJMXIQZWPZMNQ-XYYGWQPLSA-M

ChEBI ID

57402

mapping relation type

2 references

13,14-dihydro-15-oxo-prostaglandin E2(1-) (English)