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CHEBI:62721 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0)

ChEBI IDCHEBI:62721
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0)
Stars
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group linked to the mannose residue (at the 6-position) and a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the C24 very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC62H121NO26P2
Net Charge0
Average Mass1358.579
Monoisotopic Mass1357.76521
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-56(77)52(73)51(72)55(76)59(60)87-62-57(78)47(68)46(67)44(86-62)40-85-91(82,83)88-58-53(74)49(70)48(69)50(71)54(58)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/t41-,42?,43?,44+,45-,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1
InChIKeyZPYWNNAMGBCDCN-KSRHDNSTSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62721) has functional parent Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62711)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62721) is a inositol phosphomannosylinositol phosphophytoceramide (CHEBI:65006)
IUPAC Names 
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-hydroxytetracosanoyl)amino]icosyl hydrogen phosphate]
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)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
Synonyms  Source
M(IP)2C-CSUBMITTER
M(IP)2C-3SUBMITTER
mannose-(inositol-P)2-ceramide-CSUBMITTER