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CHEBI:67106 - 1-deoxysphinganine

ChEBI IDCHEBI:67106
ChEBI Name1-deoxysphinganine
Stars
DefinitionA bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen.
Last Modified9 December 2024
SubmitterAlan Bridge
DownloadsMolfile
FormulaC18H39NO
Net Charge0
Average Mass285.516
Monoisotopic Mass285.30316
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyYRYJJIXWWQLGGV-ZWKOTPCHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
1-deoxysphinganine (CHEBI:67106) has functional parent sphinganine (CHEBI:16566)
1-deoxysphinganine (CHEBI:67106) has role antineoplastic agent (CHEBI:35610)
1-deoxysphinganine (CHEBI:67106) is a amino alcohol (CHEBI:22478)
1-deoxysphinganine (CHEBI:67106) is a sphingoid (CHEBI:35785)
1-deoxysphinganine (CHEBI:67106) is conjugate base of 1-deoxysphinganine(1+) (CHEBI:67109)
Incoming Relation(s)
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine (CHEBI:73892) has functional parent 1-deoxysphinganine (CHEBI:67106)
1-deoxysphinganine(1+) (CHEBI:67109) is conjugate acid of 1-deoxysphinganine (CHEBI:67106)
IUPAC Name 
(2S,3R)-2-aminooctadecan-3-ol
Synonyms  Source
SpisulosineLIPID MAPS
1-deoxy-sphinganineLIPID MAPS
(2S,3R)-2-amino-3-hydroxyoctadecaneChEBI
Manual XrefsDatabases
LMSP01080032LIPID MAPS
EP1069894Patent
Registry NumbersSources
Reaxys:1722974Reaxys
Citations