CHEBI:186496 - MIPC(t18:0/18:0(2OH))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name MIPC(t18:0/18:0(2OH))
ChEBI ID CHEBI:186496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H94NO18P
Net Charge 0
Average Mass 1004.243
Monoisotopic Mass 1003.62085
InChI InChI=1S/C48H94NO18P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(52)47(61)49-33(37(53)34(51)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-64-68(62,63)67-46-43(59)41(57)40(56)42(58)45(46)66-48-44(60)39(55)38(54)36(31-50)65-48/h33-46,48,50-60H,3-32H2,1-2H3,(H,49,61)(H,62,63)/t33-,34+,35?,36+,37-,38+,39?,40?,41?,42+,43?,44?,45?,46-,48+/m0/s1
InChIKey PFQMCDBSNNEVRV-GQOSMTPSSA-N
SMILES P(O[C@@H]1C(O[C@H]2O[C@@H]([C@@H](O)C(O)C2O)CO)[C@H](O)C(O)C(O)C1O)(OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing MIPC(t18:0/18:0(2OH)) (CHEBI:186496) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name
[(2S,3S,4R)-3,4-dihydroxy-2-(2-hydroxyoctadecanoylamino)octadecyl] [(1S,5R)-2,3,4,5-tetrahydroxy-6-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] hydrogen phosphate
Manual Xref Database
LMSP03030073 LIPID MAPS
View more database links