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CHEBI:53004 - Ins-1-P-Cer(t18:0/2-OH-26:0)

ChEBI IDCHEBI:53004
ChEBI NameIns-1-P-Cer(t18:0/2-OH-26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen.
Last Modified21 January 2016
Submitterkieran
DownloadsMolfile
FormulaC50H100NO13P
Net Charge0
Average Mass954.318
Monoisotopic Mass953.69323
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)[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyPMXMKGYRVPAIJJ-CDDTYIOUSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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-OH-26:0) (CHEBI:53004) has functional parent myo-inositol (CHEBI:17268)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) has functional parent phytosphingosine (CHEBI:46961)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) is a phytosphingosine 1-phosphate (CHEBI:46970)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) is conjugate acid of Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65164)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:62712) has functional parent Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004)
Man-β1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:60423) has functional parent Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004)
Ins-1-P-Cer(t18:0/2-OH-26:0)(1−) (CHEBI:65164) is conjugate base of Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004)
IUPAC Names 
(2S,3S,4S)-2-{[(2S)-2-hydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S,4S)-2-{[(2S)-2-hydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
Synonyms  Source
IPCSUBMITTER
inositol-P-ceramide C (C26)ChEBI
IPC-3 (C26)ChEBI
IPC-C (C26)ChEBI
InsPCerChEBI
InsPCer-C (C26)ChEBI
Citations