CHEBI:67106 - 1-deoxysphinganine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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ChEBI ID CHEBI:67106 Definition A bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen.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 eMolecules:636962, ZINC000100044649 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 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 Types Sources 10754202 PubMed citation Europe PMC 18690825 PubMed citation Europe PMC 21942574 PubMed citation SUBMITTER Last Modified 09 December 2024