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CHEBI:185376 - PGP(I-14:0/a-13:0)

ChEBI IDCHEBI:185376
ChEBI NamePGP(I-14:0/a-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H66O13P2
Net Charge0
Average Mass732.826
Monoisotopic Mass732.39787
SMILESCCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C33H66O13P2/c1-5-29(4)21-17-13-10-11-15-19-23-33(36)46-31(27-45-48(40,41)44-25-30(34)24-43-47(37,38)39)26-42-32(35)22-18-14-9-7-6-8-12-16-20-28(2)3/h28-31,34H,5-27H2,1-4H3,(H,40,41)(H2,37,38,39)/t29?,30-,31+/m0/s1
InChIKeyZANZEFHWVVZWAB-CJZYSFCQSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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(I-14:0/a-13:0) (CHEBI:185376) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-(10-methyldodecanoyloxy)propyl] 12-methyltridecanoate
Manual XrefsDatabases
74878278ChemSpider
HMDB0116566HMDB