EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60436 - Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0)

ChEBI IDCHEBI:60436
ChEBI NameMan-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0)
Stars
ASCII NameMan-beta1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0)
DefinitionA mannosylated ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain-base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC58H114NO19P
Net Charge0
Average Mass1160.512
Monoisotopic Mass1159.77227
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(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]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C58H114NO19P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(62)47(64)57(72)59-42(46(63)43(61)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)41-75-79(73,74)78-56-53(70)51(68)50(67)52(69)55(56)77-58-54(71)49(66)48(65)45(40-60)76-58/h42-56,58,60-71H,3-41H2,1-2H3,(H,59,72)(H,73,74)/t42-,43?,44?,45+,46-,47?,48+,49-,50+,51+,52-,53+,54-,55+,56+,58?/m0/s1
InChIKeyLTLMLQAMXQHDFU-IURXHDTFSA-N
ChEBI Ontology
Outgoing Relation(s)
Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60436) has functional parent Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:60415)
Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60436) is a Man-1-6-Ins-1-P-Cer(t20:0) (CHEBI:139436)
Incoming Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60447) has functional parent Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60436)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
Synonyms  Source
MIPC-D (C26)SUBMITTER
MIPC-4 (C26)SUBMITTER
mannosylinositol phosphorylceramide D (C26)ChEBI
mannosylinositol phosphorylceramide D (20:0/26:0)ChEBI
Citations