EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169121 - OS-PG

ChEBI IDCHEBI:169121
ChEBI NameOS-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51O12P
Net Charge0
Average Mass610.678
Monoisotopic Mass610.31181
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(=O)O
InChIInChI=1S/C28H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(33)37-22-25(40-28(34)19-18-26(31)32)23-39-41(35,36)38-21-24(30)20-29/h9-10,24-25,29-30H,2-8,11-23H2,1H3,(H,31,32)(H,35,36)/b10-9-/t24-,25+/m0/s1
InChIKeyHWOWWZZJVFQKDA-BOGITLEOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
OS-PG (CHEBI:169121) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
4-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4-oxobutanoic acid
Manual XrefsDatabases
LMGP20060020LIPID MAPS