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CHEBI:185060 - PA(A-21:0/I-22:0)

ChEBI IDCHEBI:185060
ChEBI NamePA(A-21:0/I-22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H91O8P
Net Charge0
Average Mass803.200
Monoisotopic Mass802.64516
SMILESCCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C46H91O8P/c1-5-43(4)37-33-29-25-21-17-13-10-11-14-18-22-26-30-34-38-45(47)52-40-44(41-53-55(49,50)51)54-46(48)39-35-31-27-23-19-15-9-7-6-8-12-16-20-24-28-32-36-42(2)3/h42-44H,5-41H2,1-4H3,(H2,49,50,51)/t43?,44-/m1/s1
InChIKeyYCXPOYIPWKQYPP-JXDVSCHGSA-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(A-21:0/I-22:0) (CHEBI:185060) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-(18-methylicosanoyloxy)-3-phosphonooxypropan-2-yl] 20-methylhenicosanoate
Manual XrefsDatabases
HMDB0115743HMDB
74877481ChemSpider