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(Q76303404)
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English
(E)-18-bromooctadec-17-en-5,7,15-triynoic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
348.072492012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₁BrO₂
0 references
canonical SMILES
O=C(O)CCCC#CC#CCCCCCCC#CC=CBr
0 references
isomeric SMILES
C(CCCC#CC#CCCCC(=O)O)CCC#C/C=C/Br
0 references
found in taxon
Petrosia volcano
1 reference
stated in
Antifungal Brominated C18 Acetylenic Acids from the Marine Sponge, Petrosia volcano Hoshino
Xestospongia testudinaria
2 references
stated in
Bioactive bromopolyacetylenes from the marine sponge Xestospongia testudinaria
stated in
Brominated aliphatic hydrocarbons and sterols from the sponge Xestospongia testudinaria with their bioactivities
Identifiers
InChI
InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15+
0 references
InChIKey
OXVNISBZKQCMOO-BMRADRMJSA-N
0 references
PubChem CID
5312954
1 reference
matched by identifier from
InChIKey
InChIKey
OXVNISBZKQCMOO-BMRADRMJSA-N
ChEBI ID
186541
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15+
UniChem compound ID
32046637
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA01090031
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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