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CHEBI:83054 - 1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol

ChEBI IDCHEBI:83054
ChEBI Name1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
Stars
ASCII Name1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol
DefinitionA 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as stearoyl.
Last Modified16 June 2017
Submitternamrata
DownloadsMolfile
FormulaC27H53O12P
Net Charge0
Average Mass600.683
Monoisotopic Mass600.32746
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1
InChIKeyMXAFDFDAIFZFET-CZDOQZASSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:83054) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:83054) has role human metabolite (CHEBI:77746)
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:83054) is a 1-acyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:28914)
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:83054) is conjugate acid of 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:74243)
Incoming Relation(s)
1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:74243) is conjugate base of 1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:83054)
IUPAC Name 
(2R)-2-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl octadecanoate
Synonyms  Source
1-stearoylglycerophosphoinositolChEBI
1-octadecanoylglycerophosphoinositolChEBI
PI(18:0/0:0)ChEBI