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CHEBI:60414 - Ins-1-P-Cer(t18:0/2,3-OH-24:0)

ChEBI IDCHEBI:60414
ChEBI NameIns-1-P-Cer(t18:0/2,3-OH-24:0)
Stars
DefinitionA ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.
Last Modified30 September 2020
Submitterbheavner
DownloadsMolfile
FormulaC48H96NO14P
Net Charge0
Average Mass942.263
Monoisotopic Mass941.65684
SMILESCCCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](O)C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C48H96NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(51)41(53)48(59)49-37(36-62-64(60,61)63-47-45(57)43(55)42(54)44(56)46(47)58)40(52)38(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-47,50-58H,3-36H2,1-2H3,(H,49,59)(H,60,61)/t37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1
InChIKeyIFSVZMZUQHMLDK-KEMDANTFSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414) has functional parent (4R)-N-(2,3-dihydroxytetracosanoyl)-4-hydroxysphinganine (CHEBI:60256)
Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414) is conjugate acid of Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65166)
Incoming Relation(s)
Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435) has functional parent Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414)
Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1−) (CHEBI:65166) is conjugate base of Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60414)
IUPAC Names 
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-D (C24)SUBMITTER
IPC-4 (C24)SUBMITTER
inositol-P-ceramide D (C24)ChEBI
inositol-P-ceramide D (18:0/24:0)ChEBI
Citations