2-Stearoylglycerophosphoinositol (CHEBI:170133)

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CHEBI:170133 - 2-Stearoylglycerophosphoinositol

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ChEBI ID	CHEBI:170133
ChEBI Name	2-Stearoylglycerophosphoinositol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H53O12P
Net Charge	0
Average Mass	600.683
Monoisotopic Mass	600.32746
SMILES	CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChI	InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(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
InChIKey	AGVRWBBFKKEVAX-QIEOIKHQSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	HeLa cell;NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)
	NIH-3T3 cell (BTO:0000944)	MetaboLights (MTBLS78)
	HeLa cell (BTO:0000567)	MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090)	Hepa-RG cell (BTO:0005736)	MetaboLights (MTBLS78)	Strain: C57BL/6J [EFO:0000606]

ChEBI Ontology

Outgoing Relation(s)
	2-Stearoylglycerophosphoinositol (CHEBI:170133) is a 2-acylglycerophosphoinositol (CHEBI:62749)

IUPAC Name
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] octadecanoate