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

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ChEBI Name Ins-1-P-Cer(t18:0/2-OH-26:0) ChEBI ID CHEBI:53004 Definition A ceramide phosphoinositol compound having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Stars This entity has been manually annotated by the ChEBI Team. Submitter kieran 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 C50H100NO13P Net Charge 0 Average Mass 954.30170 Monoisotopic Mass 953.69323 InChI InChI=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 InChIKey PMXMKGYRVPAIJJ-CDDTYIOUSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCC[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 ). (via phytosphingosine 1-phosphate ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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) 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) 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 Sources inositol-P-ceramide ChEBI inositol-P-ceramide C (18:0/26:0) ChEBI inositol-P-ceramide C (C26) ChEBI inositol-P-ceramide C (C26) ChEBI InsPCer ChEBI InsPCer-3 (C26) ChEBI InsPCer-C (C26) ChEBI IPC SUBMITTER IPC-3 (C26) ChEBI IPC-C (C26) ChEBI Citations Types Sources 18296751 PubMed citation Europe PMC 7957179 PubMed citation Europe PMC 9368039 PubMed citation Europe PMC Last Modified 21 January 2016

General Comment 2009-08-26 The depicted structure is based on proposed structures which are shown in the above citation.