15-dehydro-prostaglandin E1(1-) (Q27124650)

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (English)

6 October 2016

chemical formula

C₂₀H₃₁O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)[O-])O

1 reference

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (English)

6 October 2016

isomeric SMILES

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

1 reference

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (English)

VXPBDCBTMSKCKZ-XQHNHVHJSA-M

6 October 2016

InChIKey

2 references

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(11alpha,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oate (English)

6 October 2016

2 references

(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate (English)

matched by identifier from

6 October 2016

InChIKey

VXPBDCBTMSKCKZ-XQHNHVHJSA-M

ChEBI ID

57401

mapping relation type

2 references

15-dehydro-prostaglandin E1(1-) (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1

1 reference

2 references

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