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HS44
An N-acyl-1-deoxy-4-hydroxysphinganine in which the acyl group on nitrogen is hexacosanoyl and in which C-1 is substituted by a cyclitolic [(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl] amino group. It is a synthetic analogue of the CD1d-presented agonist alpha-galactosylceramide.


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03. Biological Effects of Specific Chemicals: epitope [CHEBI:53000] > HS44 [CHEBI:72586]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 epitope [CHEBI:53000] (470) 
 HS44 [CHEBI:72586] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 cyclitol [CHEBI:23451] (149) 
 amino cyclitol [CHEBI:61689] (9) 
 HS44 [CHEBI:72586] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 cyclitol [CHEBI:23451] (149) 
 amino cyclitol [CHEBI:61689] (9) 
 HS44 [CHEBI:72586] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 sphingolipid [CHEBI:26739] (439) 
 ceramide [CHEBI:17761] (268) 
 N-acyl-1-deoxy-4-hydroxysphinganine [CHEBI:67112] (1) 
 HS44 [CHEBI:72586] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 cyclitol [CHEBI:23451] (149) 
 amino cyclitol [CHEBI:61689] (9) 
 HS44 [CHEBI:72586] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 cyclitol [CHEBI:23451] (149) 
 amino cyclitol [CHEBI:61689] (9) 
 HS44 [CHEBI:72586] (1)
ChEBI Compound Accession Identifier  [CHEBI:72586]
ChEBI Compound Description  An N-acyl-1-deoxy-4-hydroxysphinganine in which the acyl group on nitrogen is hexacosanoyl and in which C-1 is substituted by a cyclitolic [(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl] amino group. It is a synthetic analogue of the CD1d-presented agonist alpha-galactosylceramide.
ChEBI Compound Identification Number  72586
ChEBI InChI Value  InChI=1S/C50H100N2O7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(55)52-43(41-51-42-40-45(54)49(58)50(59)48(42)57)47(56)44(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-45,47-51,53-54,56-59H,3-41H2,1-2H3,(H,52,55)/t42-,43-,44+,45-,47-,48-,49+,50+/m0/s1
ChEBI InChIKey Value  XXEARWSQDQWKKF-KVWQTNEHSA-N
ChEBI Compound Name  HS44
ChEBI SMILES Value  CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
ChEBI Substance ID  160962928
ChEBI URL  ChEBI:72586
ChemSpider ID  28533792
Ontomatica Chemical Accession Key (OnChAKey)  XXEARWSQDQWKKF_KVWQTNEHSA_N_000_000000
PubChem Compound ID  44626398