(Q76286290)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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364.26135963199994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

(15S)-15-Hydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₄

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canonical SMILES

CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1

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LLVVDFDWPQHXBA-QEJIITRLSA-N

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1 reference

matched by identifier from

LLVVDFDWPQHXBA-QEJIITRLSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/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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