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CHEBI:186234 - LPIM2(17:0/0:0)

Default Structure
ChEBI IDCHEBI:186234
ChEBI NameLPIM2(17:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H71O22P
Net Charge0
Average Mass910.938
Monoisotopic Mass910.41746
SMILESCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)C(O)C(O)C(O)[C@H]1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C38H71O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(42)54-19-21(41)20-55-61(52,53)60-36-34(58-37-32(50)27(45)25(43)22(17-39)56-37)30(48)29(47)31(49)35(36)59-38-33(51)28(46)26(44)23(18-40)57-38/h21-23,25-41,43-51H,2-20H2,1H3,(H,52,53)/t21-,22?,23?,25-,26+,27?,28?,29?,30?,31?,32-,33+,34-,35?,36?,37-,38+/m1/s1
InChIKeyBFMMIYDBDSUBAV-UFEGWIGRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
LPIM2(17:0/0:0) (CHEBI:186234) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(6R)-3,4,5-trihydroxy-2-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropyl] heptadecanoate
Manual XrefsDatabases
LMGP15040010LIPID MAPS