EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:62720 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-26:0)

ChEBI IDCHEBI:62720
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-26:0)
Stars
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group linked to the mannose residue (at the 6-position) and a hexacosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC64H125NO26P2
Net Charge0
Average Mass1386.633
Monoisotopic Mass1385.79651
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H125NO26P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-45(67)63(81)65-43(47(68)44(66)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)41-86-92(82,83)91-62-58(79)54(75)53(74)57(78)61(62)89-64-59(80)49(70)48(69)46(88-64)42-87-93(84,85)90-60-55(76)51(72)50(71)52(73)56(60)77/h43-62,64,66-80H,3-42H2,1-2H3,(H,65,81)(H,82,83)(H,84,85)/t43-,44?,45?,46+,47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58+,59-,60-,61+,62+,64?/m0/s1
InChIKeyIYGIURYOAAMBST-HRTWFUEQSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:62720) has functional parent Man-β1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:60423)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:62720) is a inositol phosphomannosylinositol phosphophytoceramide (CHEBI:65006)
IUPAC Names 
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate
1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]}-myo-inositol 1-[(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-CSUBMITTER
M(IP)2C-3SUBMITTER
mannose-(inositol-P)2-ceramide-CSUBMITTER