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CHEBI:169823 - PGP(a-13:0/i-12:0)

ChEBI IDCHEBI:169823
ChEBI NamePGP(a-13:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H62O13P2
Net Charge0
Average Mass704.772
Monoisotopic Mass704.36657
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C31H62O13P2/c1-5-27(4)19-15-11-7-9-12-16-20-30(33)40-24-29(44-31(34)21-17-13-8-6-10-14-18-26(2)3)25-43-46(38,39)42-23-28(32)22-41-45(35,36)37/h26-29,32H,5-25H2,1-4H3,(H,38,39)(H2,35,36,37)/t27?,28-,29+/m0/s1
InChIKeyYSYFVSFATZIRIP-CVWZLOPKSA-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)
PGP(a-13:0/i-12:0) (CHEBI:169823) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methyldodecanoate
Manual XrefsDatabases
74878230ChemSpider
HMDB0116518HMDB