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CHEBI:53005 - Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)

ChEBI IDCHEBI:53005
ChEBI NameIns-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)
DefinitionA inositol phosphomannosylinositol phosphoceramide compound having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen.
Last Modified18 January 2021
Submitterkieran
DownloadsMolfile
FormulaC62H121NO26P2
Net Charge0
Average Mass1358.579
Monoisotopic Mass1357.76521
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-55(76)51(72)52(73)58(57(60)78)87-62-56(77)47(68)46(67)44(86-62)40-85-91(82,83)88-59-53(74)49(70)48(69)50(71)54(59)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
InChIKeyMHASFCCXBKBCFW-DOTAPBNDSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) has functional parent myo-inositol (CHEBI:17268)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) has functional parent Man-β1-6-Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:60423)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) is a inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine (CHEBI:139529)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) is conjugate acid of Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−) (CHEBI:65206)
Incoming Relation(s)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−) (CHEBI:65206) is conjugate base of Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005)
Synonyms  Source
MIP2CSUBMITTER
inositol phosphomannosylinositol phosphoceramide (C26)ChEBI
inositol phosphomannosylinositol phosphoceramide (18:0/26:0)ChEBI
Manual XrefsDatabases
LMSP03030003LIPID MAPS
Citations