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CHEBI:60409 - Ins-1-P-Cer(d18:0/2-OH-26:0)

ChEBI IDCHEBI:60409
ChEBI NameIns-1-P-Cer(d18:0/2-OH-26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a hexacosanoyl 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
FormulaC50H100NO12P
Net Charge0
Average Mass938.319
Monoisotopic Mass937.69831
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[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/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(53)50(59)51-41(42(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-62-64(60,61)63-49-47(57)45(55)44(54)46(56)48(49)58/h41-49,52-58H,3-40H2,1-2H3,(H,51,59)(H,60,61)/t41-,42+,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyXYCNASUKVOVNSX-JZZCRTNLSA-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-26:0) (CHEBI:60409) has functional parent N-(2-hydroxyhexacosanoyl)sphinganine (CHEBI:52372)
Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409) is conjugate acid of Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65094)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:62708) has functional parent Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409)
Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0) (CHEBI:60419) has functional parent Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409)
Ins-1-P-Cer(d18:0/2-OH-26:0)(1−) (CHEBI:65094) is conjugate base of Ins-1-P-Cer(d18:0/2-OH-26:0) (CHEBI:60409)
IUPAC Names 
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxyhexacosanoyl]amino}octadecyl 1D-myo-inositol hydrogen phosphate
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxyhexacosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-B' (C26)SUBMITTER
IPC-2' (C26)SUBMITTER
inositol-P-ceramide B' (C26)ChEBI
inositol-P-ceramide B' (18:0/26:0)ChEBI
Citations