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CHEBI:185263 - PA(21:0/I-15:0)

ChEBI IDCHEBI:185263
ChEBI NamePA(21:0/I-15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H77O8P
Net Charge0
Average Mass705.011
Monoisotopic Mass704.53561
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C39H77O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-29-32-38(40)45-34-37(35-46-48(42,43)44)47-39(41)33-30-27-24-21-18-19-22-25-28-31-36(2)3/h36-37H,4-35H2,1-3H3,(H2,42,43,44)/t37-/m1/s1
InChIKeySVJRNZBVVCUNFT-DIPNUNPCSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(21:0/I-15:0) (CHEBI:185263) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] henicosanoate
Manual XrefsDatabases
HMDB0115654HMDB
74877392ChemSpider