(Q27156149)

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

9 October 2016

chemical formula

C₂₀H₃₁O₆⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)[O-])OO2)OO

1 reference

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

9 October 2016

isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])OO2)OO

1 reference

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

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

9 October 2016

Identifiers

InChI

1 reference

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

SGUKUZOVHSFKPH-YNNPMVKQSA-M

9 October 2016

InChIKey

2 references

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroperoxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoate (English)

9 October 2016

2 references

(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oate (English)

matched by identifier from

9 October 2016

InChIKey

SGUKUZOVHSFKPH-YNNPMVKQSA-M

ChEBI ID

82629

mapping relation type

2 references

prostaglandin G2(1-) (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

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

1 reference

2 references

https://www.swisslipids.org/#/downloads