CHEBI:186499 - PI(12:0/0:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PI(12:0/0:0)
ChEBI ID CHEBI:186499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H41O12P
Net Charge 0
Average Mass 516.521
Monoisotopic Mass 516.23356
InChI InChI=1S/C21H41O12P/c1-2-3-4-5-6-7-8-9-10-11-15(23)31-12-14(22)13-32-34(29,30)33-21-19(27)17(25)16(24)18(26)20(21)28/h14,16-22,24-28H,2-13H2,1H3,(H,29,30)/t14-,16?,17-,18?,19?,20?,21?/m1/s1
InChIKey XRLCEWWZNPSDGB-NXCOFWLSSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCCCCCC)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PI(12:0/0:0) (CHEBI:186499) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] dodecanoate
Manual Xref Database
LMGP06050007 LIPID MAPS
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