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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Ins-1-P-Cer(t18:0/2,3-OH-26:0) ChEBI ID CHEBI:60415 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Ben Heavner Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C50H100NO14P Net Charge 0 Average Mass 970.317 Monoisotopic Mass 969.68814 InChI InChI=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 InChIKey BUJDESZERWRJFC-QMPYUXPBSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCC[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 Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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) 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) 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 Sources inositol-P-ceramide D (18:0/26:0) ChEBI inositol-P-ceramide D (C26) ChEBI IPC-4 (C26) SUBMITTER IPC-D (C26) SUBMITTER Citations Types Sources 18296751 PubMed citation SUBMITTER 9368039 PubMed citation SUBMITTER Last Modified 30 September 2020