CHEBI:60446 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)

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ChEBI Name Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) ChEBI ID CHEBI:60446 ChEBI ASCII Name Ins-1-P-6-Man-beta1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) Definition An inositol phosphomannosylinositol phosphoceramide compound having a tetracosanoyl 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 C60H117NO27P2 Net Charge 0 Average Mass 1346.50900 Monoisotopic Mass 1345.72882 InChI InChI=1S/C60H117NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(63)43(65)59(78)61-38(42(64)39(62)34-32-30-28-26-24-16-14-12-10-8-6-4-2)36-83-89(79,80)88-58-54(76)50(72)49(71)53(75)57(58)86-60-55(77)45(67)44(66)41(85-60)37-84-90(81,82)87-56-51(73)47(69)46(68)48(70)52(56)74/h38-58,60,62-77H,3-37H2,1-2H3,(H,61,78)(H,79,80)(H,81,82)/t38-,39?,40?,41+,42-,43?,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1 InChIKey WIOUEBUIPRZJNK-FVMRZCOXSA-N SMILES CCCCCCCCCCCCCCCCCCCCCC(O)C(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]1O[C@H](COP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(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-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) has functional parent Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60435) Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) is a inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine (CHEBI:139529) Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) is conjugate acid of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−) (CHEBI:65204) Incoming Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0)(2−) (CHEBI:65204) is conjugate base of Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t18:0/2,3-OH-24:0) (CHEBI:60446) IUPAC Names (2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-β-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate 1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-β-D-mannopyranosyl]}-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate] Synonyms Sources inositol phosphomannosylinositol phosphoceramide D (18:0/24:0) ChEBI inositol phosphomannosylinositol phosphoceramide D (C24) ChEBI M(IP)2C-4 (C24) SUBMITTER M(IP)2C-D (C24) SUBMITTER Citations Types Sources 12923229 PubMed citation SUBMITTER 18296751 PubMed citation SUBMITTER Last Modified 18 January 2021

General Comment 2021-01-18 The compound was previously incorrectly named as Ins-1-P-6-Man-β1-2-Ins-1-P-Cer(t18:0/2,3-OH-24:0).