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(Q82201257)
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English
AC1N3NBH
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
433.319208856
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₃NO₄
0 references
canonical SMILES
O=C(O)CNC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
0 references
found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)
0 references
InChIKey
XBSQTYHEGZTYJE-UHFFFAOYSA-N
0 references
CAS Registry Number
79252-50-9
0 references
PubChem CID
4067466
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
181179
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
46253950
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-BGC_Munich-RP007301
0 references
MSBNK-BGC_Munich-RP007302
0 references
MSBNK-BGC_Munich-RP007303
0 references
DSSTox substance ID
DTXSID40398978
0 references
DSSTOX compound identifier
DTXCID70349837
0 references
Probes And Drugs ID
PD093746
0 references
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