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CHEBI:60406 - Ins-1-P-Cer(d18:0/2-OH-24:0)

ChEBI IDCHEBI:60406
ChEBI NameIns-1-P-Cer(d18:0/2-OH-24:0)
Stars
DefinitionA ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified21 January 2016
Submitterbheavner
DownloadsMolfile
FormulaC48H96NO12P
Net Charge0
Average Mass910.265
Monoisotopic Mass909.66701
SMILESCCCCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCC
InChIInChI=1S/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(51)48(57)49-39(40(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-60-62(58,59)61-47-45(55)43(53)42(52)44(54)46(47)56/h39-47,50-56H,3-38H2,1-2H3,(H,49,57)(H,58,59)/t39-,40+,41-,42-,43-,44+,45+,46+,47-/m0/s1
InChIKeyVNKKSGSHXRHPDZ-LIMFHIGASA-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(d18:0/2-OH-24:0) (CHEBI:60406) has functional parent N-(2-hydroxytetracosanoyl)sphinganine (CHEBI:52371)
Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406) is conjugate acid of Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65095)
Incoming Relation(s)
Man-β1-6-Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60418) has functional parent Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406)
Ins-1-P-Cer(d18:0/2-OH-24:0)(1−) (CHEBI:65095) is conjugate base of Ins-1-P-Cer(d18:0/2-OH-24:0) (CHEBI:60406)
IUPAC Names 
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxytetracosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxytetracosanoyl]amino}octadecyl 1D-myo-inositol hydrogen phosphate
Synonyms  Source
IPC-B' (C24)SUBMITTER
IPC-2' (C24)SUBMITTER
inositol-P-ceramide B' (C24)ChEBI
inositol-P-ceramide B' (18:0/24:0)ChEBI
Citations