| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-10-03 18:34:44 UTC |
|---|
| Update Date | 2020-04-22 15:49:13 UTC |
|---|
| BMDB ID | BMDB0012237 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Inositol-P-ceramide |
|---|
| Description | Inositol-P-ceramide, also known as IPC, belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Inositol-P-ceramide is an extremely weak basic (essentially neutral) compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| IPC | HMDB | | N-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidate | Generator |
|
|---|
| Chemical Formula | C50H100NO13P |
|---|
| Average Molecular Weight | 954.3017 |
|---|
| Monoisotopic Molecular Weight | 953.693228803 |
|---|
| IUPAC Name | {[3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy}[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphinic acid |
|---|
| Traditional Name | [3,4-dihydroxy-2-(2-hydroxyhexacosanamido)octadecyl]oxy(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphinic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC |
|---|
| InChI Identifier | 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) |
|---|
| InChI Key | PMXMKGYRVPAIJJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Sphingolipids |
|---|
| Sub Class | Phosphosphingolipids |
|---|
| Direct Parent | Phosphosphingolipids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Sphingoid-1-phosphate or derivatives
- Inositol phosphate
- Phosphoethanolamine
- Cyclohexanol
- Dialkyl phosphate
- Cyclitol or derivatives
- Fatty amide
- Monosaccharide
- N-acyl-amine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Fatty acyl
- Cyclic alcohol
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Polyol
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic nitrogen compound
- Aliphatic homomonocyclic compound
|
|---|
| Molecular Framework | Aliphatic homomonocyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | - Cell membrane
- Endosome
- Membrane
|
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
