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1Z-pitiamide B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4E)-N-[(11E,13E)-14-chloro-3-methyl-5-oxotetradeca-11,13-dien-1-yl]oct-4-enimidic acid
1 reference
based on heuristic
inferred from SMILES
mass
395.259107136
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1E-pitiamide B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₈ClNO₂
0 references
canonical SMILES
CCCC=CCCC(=O)NCCC(C)CC(=O)CCCCCC=CC=CCl
0 references
isomeric SMILES
CCC/C=C/CCC(=O)NCC[C@@H](C)CC(=O)CCCCC/C=C/C=C\Cl
0 references
found in taxon
Blennothrix majus
1 reference
stated in
Pitiamides A and B, Multifunctional Fatty Acid Amides from Marine Cyanobacteria
Identifiers
InChI
InChI=1S/C23H38ClNO2/c1-3-4-5-9-13-16-23(27)25-19-17-21(2)20-22(26)15-12-10-7-6-8-11-14-18-24/h5,8-9,11,14,18,21H,3-4,6-7,10,12-13,15-17,19-20H2,1-2H3,(H,25,27)/b9-5+,11-8+,18-14-/t21-/m1/s1
0 references
InChIKey
FPMHRIHOVKXRKQ-GLUIZYGOSA-N
0 references
PubChem CID
146683712
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FPMHRIHOVKXRKQ-GLUIZYGOSA-N
ChEBI ID
213272
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H38ClNO2/c1-3-4-5-9-13-16-23(27)25-19-17-21(2)20-22(26)15-12-10-7-6-8-11-14-18-24/h5,8-9,11,14,18,21H,3-4,6-7,10,12-13,15-17,19-20H2,1-2H3,(H,25,27)/b9-5+,11-8+,18-14-/t21-/m1/s1
UniChem compound ID
178087071
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001333787
1 reference
matched by identifier from
InChIKey
InChIKey
FPMHRIHOVKXRKQ-GLUIZYGOSA-N
Natural Product Atlas ID
NPA027378
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FPMHRIHOVKXRKQ-GLUIZYGOSA-N
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