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CHEBI:187112 - 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine
| Formula | C46H76NO7P |
| Net Charge | 0 |
| Average Mass | 786.088 |
| Monoisotopic Mass | 785.53594 |
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCC1CC2C1C1C3C4CCC4C3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
| InChI | InChI=1S/C46H76NO7P/c1-47(2,3)22-24-53-55(49,50)54-28-31(51-23-12-7-5-4-6-9-13-29-16-17-36-37(25-29)42-33-19-18-32(33)41(36)42)27-52-39(48)15-11-8-10-14-30-26-38-40(30)46-44-35-21-20-34(35)43(44)45(38)46/h29-38,40-46H,4-28H2,1-3H3/t29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,40?,41?,42?,43?,44?,45?,46?/m1/s1 |
| InChIKey | ZYSMCDLVOGTSMX-ARTYYKIKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine (CHEBI:187112) is a alkylacylglycero-3-phosphocholine (CHEBI:78189) |
| IUPAC Name |
|---|
| [(2R)-3-[6-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)hexanoyloxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24823062 | ChemSpider |
| LMGP01080001 | LIPID MAPS |