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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
ChEBI ID CHEBI:139522
ChEBI ASCII Name N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C50H100NO13P
Net Charge 0
Average Mass 954.304
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-XBBDMFFLSA-N
SMILES C(CCCCCCCC[C@H]([C@H]([C@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)NC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)O)O)O)CCCCC
Metabolite of Species Details
Trypanosoma cruzi (NCBI:txid5693) See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosine ChEBI
Ins-1-PCer(t18:0/2-OH-26:0) ChEBI
IPC t18:0/26:0(2OH) ChEBI
Citation Waiting for Citations Type Source
27502288 PubMed citation Europe PMC
Last Modified
25 January 2018