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N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_139038

An inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingoid(1-) in which the sphingoid base portion contains 18 carbons.

Term info

Label

N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1-)

Synonyms
  • (2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Subsets

3_STAR

IUPAC NAME
(2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ IUPAC ]

charge

-1

formula

C50H99NO13P

has obo namespace

chebi_ontology

has related synonym

Ins-1-PCer(t18:0/2-OH-26:0)(1-), inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine, inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosine(1-), IPC t18:0/26:0(2OH)(1-)

id

CHEBI:139038

inchi

InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/p-1/t40-,41+,42?,43-,44-,45-,46+,47+,48+,49-/m0/s1

inchikey

PMXMKGYRVPAIJJ-XBBDMFFLSA-M

mass

953.296

monoisotopicmass

952.68595

smiles

C(CCCCCCCC[C@H]([C@H]([C@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)[O-])NC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)O)O)O)CCCCC