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CHEBI:187016 - PHODA-PI

ChEBI IDCHEBI:187016
ChEBI NamePHODA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O15P
Net Charge0
Average Mass782.902
Monoisotopic Mass782.42176
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C37H67O15P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-30(40)49-26-29(51-31(41)24-19-16-13-14-17-21-28(39)22-20-25-38)27-50-53(47,48)52-37-35(45)33(43)32(42)34(44)36(37)46/h20,22,25,28-29,32-37,39,42-46H,2-19,21,23-24,26-27H2,1H3,(H,47,48)/b22-20+/t28?,29-,32?,33-,34?,35?,36?,37?/m1/s1
InChIKeyMDYCMISPNUGJNJ-WACCAZGTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHODA-PI (CHEBI:187016) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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