EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185641 - PHDdiA-PI

ChEBI IDCHEBI:185641
ChEBI NamePHDdiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O16P
Net Charge0
Average Mass798.901
Monoisotopic Mass798.41667
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)O
InChIInChI=1S/C37H67O16P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(41)50-25-28(52-31(42)22-19-16-13-14-17-20-27(38)23-24-29(39)40)26-51-54(48,49)53-37-35(46)33(44)32(43)34(45)36(37)47/h23-24,27-28,32-38,43-47H,2-22,25-26H2,1H3,(H,39,40)(H,48,49)/b24-23+/t27?,28-,32?,33-,34?,35?,36?,37?/m1/s1
InChIKeyUWGBODQBJRZZTA-AWGVOVPGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PHDdiA-PI (CHEBI:185641) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-12-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual XrefsDatabases
LMGP20050003LIPID MAPS