CHEBI:67106 - 1-deoxysphinganine

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ChEBI Name 1-deoxysphinganine
ChEBI ID CHEBI:67106
Definition A bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C18H39NO
Net Charge 0
Average Mass 285.50840
Monoisotopic Mass 285.30316
InChI InChI=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
InChIKey YRYJJIXWWQLGGV-ZWKOTPCHSA-N
SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(2S,3R)-2-amino-3-hydroxyoctadecane ChEBI
1-deoxy-sphinganine LIPID MAPS
1-deoxysphinganine (0) UniProt
Spisulosine LIPID MAPS
Manual Xrefs Databases
EP1069894 Patent
LMSP01080032 LIPID MAPS
View more database links
Registry Number Type Source
1722974 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10754202 PubMed citation Europe PMC
18690825 PubMed citation Europe PMC
21942574 PubMed citation SUBMITTER
Last Modified
03 June 2013