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CHEBI:60405 - Ins-1-P-Cer(d18:0/26:0)

ChEBI IDCHEBI:60405
ChEBI NameIns-1-P-Cer(d18:0/26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen and no hydroxylation at C-4 of the long-chain base or at C-2 or C-3 of the very-long-chain fatty acid.
Last Modified21 January 2016
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO11P
Net Charge0
Average Mass922.320
Monoisotopic Mass921.70340
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H100NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1
InChIKeyORSGBBKDFSRJSQ-PCIXLOPBSA-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(d18:0/26:0) (CHEBI:60405) has functional parent N-hexacosanoylsphinganine (CHEBI:52962)
Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405) is conjugate acid of Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d18:0/26:0) (CHEBI:62706) has functional parent Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405)
Man-1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:65229) has functional parent Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405)
Man-β1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:60417) has functional parent Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405)
Ins-1-P-Cer(d18:0/26:0)(1−) (CHEBI:65089) is conjugate base of Ins-1-P-Cer(d18:0/26:0) (CHEBI:60405)
IUPAC Names 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-A (C26)SUBMITTER
IPC-1 (C26)SUBMITTER
inositol-P-ceramide A (C26)ChEBI
inositol-P-ceramide A (18:0/26:0)ChEBI
Citations