(Q76286296)

English

(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

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372.1936739959999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₈O₅

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canonical SMILES

O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)Cc1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/[C@H](CC2=CC=CC=C2)O)O

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Identifiers

InChI=1S/C22H28O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,21-/m1/s1

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DXWJXQSQVUJRNS-YYWARMNLSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

matched by identifier from

DXWJXQSQVUJRNS-YYWARMNLSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C22H28O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,21-/m1/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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