(Q77385053)

English

6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

fatty acid

0 references

mass

346.056841948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₉BrO₂

0 references

canonical SMILES

O=C(O)CCCC=C(Br)CCCCC#CC#CC=CC#C

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isomeric SMILES

C#C/C=C\C#CC#CCCCC/C(=C\CCCC(=O)O)/Br

0 references

found in taxon

Leptogium saturninum

1 reference

stated in

Novel brominated lipidic compounds from lichens of central Asia

Cladonia furcata furcata

1 reference

stated in

Identification of fatty acids from Cladonia lichens

Identifiers

InChI

InChI=1S/C18H19BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,3-4,15H,9-14,16H2,(H,20,21)/b4-3-,17-15+

0 references

InChIKey

IQBQVQQXKHQANW-BNXREGJKSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

129861905

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

IQBQVQQXKHQANW-BNXREGJKSA-N

ChEBI ID

204302

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H19BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,3-4,15H,9-14,16H2,(H,20,21)/b4-3-,17-15+

1 reference

Natural Product Atlas ID

NPA007380

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IQBQVQQXKHQANW-BNXREGJKSA-N

(Q77385053)

6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester

Statements

Identifiers

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