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English
(2S,3S)-2-Aminooctadecane-1,3,4-triol
group of stereoisomers with the chemical formula C₁₈H₃₉NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
317.292994108
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₉NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCC(O)C(O)C(N)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCC(O)[C@@H](O)[C@@H](N)CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17?,18-/m0/s1
0 references
InChIKey
AERBNCYCJBRYDG-RGBJRUIASA-N
0 references
CAS Registry Number
245118-15-4
0 references
PubChem CID
71357922
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AERBNCYCJBRYDG-RGBJRUIASA-N
ChEBI ID
191244
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17?,18-/m0/s1
UniChem compound ID
65565003
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10781959
1 reference
matched by identifier from
InChIKey
InChIKey
AERBNCYCJBRYDG-RGBJRUIASA-N
DSSTOX compound identifier
DTXCID90732702
0 references
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