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CHEBI:139522 - N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)

ChEBI IDCHEBI:139522
ChEBI NameN-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
Stars
ASCII NameN-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
DefinitionAn inositol phosphoceramide obtained by formal condensation of the carboxy group of 2-hydroxyhexacosanoic acid with the amino group of phytosphingosine-1-phospho-(1D-myo-inositol).
Last Modified25 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC50H100NO13P
Net Charge0
Average Mass954.318
Monoisotopic Mass953.69323
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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/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
InChIKeyPMXMKGYRVPAIJJ-XBBDMFFLSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma cruzi (ncbitaxon:5693) - PubMed (27502288)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) has functional parent myo-inositol (CHEBI:17268)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) has functional parent phytosphingosine (CHEBI:46961)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) has role fungal metabolite (CHEBI:76946)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) has role mammalian metabolite (CHEBI:75768)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) is a inositol phosphoceramide (CHEBI:60245)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) is conjugate acid of N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−) (CHEBI:139038)
Incoming Relation(s)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1−) (CHEBI:139038) is conjugate base of N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522)
IUPAC Name 
(2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosineChEBI
IPC t18:0/26:0(2OH)ChEBI
Ins-1-PCer(t18:0/2-OH-26:0)ChEBI
Citations