CHEBI:179061 - Enigmol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Enigmol
ChEBI ID CHEBI:179061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H39NO2
Net Charge 0
Average Mass 301.515
Monoisotopic Mass 301.29808
InChI InChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-18(21)16(2)19/h16-18,20-21H,3-15,19H2,1-2H3/t16-,17-,18-/m0/s1
InChIKey CILLLUONWCSDCK-BZSNNMDCSA-N
SMILES O[C@@H](CCCCCCCCCCCCC)C[C@H](O)[C@@H](N)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Enigmol (CHEBI:179061) is a amino alcohol (CHEBI:22478)
IUPAC Name
(2S,3S,5S)-2-aminooctadecane-3,5-diol
Manual Xrefs Databases
9590278 ChemSpider
LMSP01080058 LIPID MAPS
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