(Q60998653)

English

15-deoxy-Delta(12,14)-prostaglandin J3

chemical compound

(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oic acid

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

314.18819469199997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₆O₃

0 references

canonical SMILES

CCC=CCC=CC=C1C(=O)C=CC1CC=CCCCC(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(CCC(O)=O)/C=C\C[C@@H]1\C(\C(C=C1)=O)=C/C=C/C/C=C\CC

0 references

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1

0 references

InChIKey

QFTYCAAGCUOJNG-KRXWQEJVSA-N

1 reference

stated in

ChEBI release 2020-09-01

PubChem CID

117990534

1 reference

matched by identifier from

InChIKey

QFTYCAAGCUOJNG-KRXWQEJVSA-N

ChEBI ID

140223

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1

1 reference

1 reference

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

retrieved

15 April 2024

InChIKey

QFTYCAAGCUOJNG-KRXWQEJVSA-N

based on heuristic

InChIKey match

(Q60998653)

15-deoxy-Delta(12,14)-prostaglandin J3

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