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CHEBI:184603 - PKDdiA-PA

ChEBI IDCHEBI:184603
ChEBI NamePKDdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H55O11P
Net Charge0
Average Mass634.744
Monoisotopic Mass634.34820
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C31H55O11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(35)40-25-28(26-41-43(37,38)39)42-31(36)22-19-16-13-14-17-20-27(32)23-24-29(33)34/h23-24,28H,2-22,25-26H2,1H3,(H,33,34)(H2,37,38,39)/b24-23+/t28-/m1/s1
InChIKeyPIFCSAFEWFFJCA-GQQYDREYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PKDdiA-PA (CHEBI:184603) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-12-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual XrefsDatabases
LMGP20070004LIPID MAPS
113380991ChemSpider