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CHEBI:187084 - PHOHA-PG

ChEBI IDCHEBI:187084
ChEBI NamePHOHA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H53O12P
Net Charge0
Average Mass624.705
Monoisotopic Mass624.32746
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(O)/C=C/C=O
InChIInChI=1S/C29H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(34)38-23-27(24-40-42(36,37)39-22-26(33)21-31)41-29(35)19-18-25(32)16-15-20-30/h15-16,20,25-27,31-33H,2-14,17-19,21-24H2,1H3,(H,36,37)/b16-15+/t25?,26-,27+/m0/s1
InChIKeyWXHHPKDJTPQIAB-KPJSMAMLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
PHOHA-PG (CHEBI:187084) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20060009LIPID MAPS
113380960ChemSpider