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English
(1Z)-2-[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]-1-[(1Z)-oct-1-en-1-yl]diazen-1-ium-1-olate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
258.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-[(E)-oct-1-enyl]-oxidoazanium
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(2R,3R)-3-hydroxy-1-methoxybutan-2-yl]imino-[(Z)-oct-1-enyl]-oxidoazanium
1 reference
based on heuristic
inferred from InChI
Elaiomycin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₆N₂O₃
0 references
canonical SMILES
[O-][N+](=NC(COC)C(O)C)C=CCCCCCC
0 references
isomeric SMILES
CCCCCC/C=C\[N+]([O-])=N\[C@@H](COC)[C@H](C)O
0 references
found in taxon
Streptomyces
1 reference
stated in
Elaiomycins D-F, antimicrobial and cytotoxic azoxides from Streptomyces sp. strain HKI0708.
Identifiers
InChI
InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3/b10-9-,15-14-/t12-,13-/m0/s1
0 references
InChIKey
BCPWSYQGYBTINM-DTCMKFPYSA-N
0 references
CAS Registry Number
23315-05-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
ChEBI ID
226447
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3/b10-9-,15-14-/t12-,13-/m0/s1
DSSTox substance ID
DTXSID801028152
1 reference
matched by identifier from
InChIKey
InChIKey
BCPWSYQGYBTINM-DTCMKFPYSA-N
UNII
227V1PL5TF
1 reference
matched by identifier from
InChIKey
InChIKey
BCPWSYQGYBTINM-DTCMKFPYSA-N
Natural Product Atlas ID
NPA012909
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCPWSYQGYBTINM-DTCMKFPYSA-N
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