(Q76293798)

English

(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide

chemical compound

In more languages

Statements

type of chemical entity

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395.26717328399997 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

PGE2 ethanolamide

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based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₇NO₅

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canonical SMILES

CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)NCCO

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1

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GKKWUSPPIQURFM-IGDGGSTLSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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matched by identifier from

GKKWUSPPIQURFM-IGDGGSTLSA-N

mapping relation type

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ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1

UniChem compound ID

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Probes And Drugs ID

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1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

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