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CHEBI:60415 - Ins-1-P-Cer(t18:0/2,3-OH-26:0)

ChEBI IDCHEBI:60415
ChEBI NameIns-1-P-Cer(t18:0/2,3-OH-26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a hexacosanoyl 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
FormulaC50H100NO14P
Net Charge0
Average Mass970.317
Monoisotopic Mass969.68814
SMILESCCCCCCCCCCCCCCCCCCCCCCC[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/C50H100NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/t39-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyBUJDESZERWRJFC-QMPYUXPBSA-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-26:0) (CHEBI:60415) has functional parent N-(2,3-dihydroxyhexacosanoyl)-(4R)-hydroxysphinganine (CHEBI:60384)
Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415) is a inositol phosphoceramide (CHEBI:60245)
Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415) is conjugate acid of Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65168)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:62683) has functional parent Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415)
Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60436) has functional parent Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415)
Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1−) (CHEBI:65168) is conjugate base of Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415)
IUPAC Names 
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
Synonyms  Source
IPC-D (C26)SUBMITTER
IPC-4 (C26)SUBMITTER
inositol-P-ceramide D (C26)ChEBI
inositol-P-ceramide D (18:0/26:0)ChEBI
Citations