CHEBI:182015 - [(2R)-1,1,2,3,3-Pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate

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ChEBI Name [(2R)-1,1,2,3,3-Pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
ChEBI ID CHEBI:182015
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H74D5O10P
Net Charge 0
Average Mass 768.077
Monoisotopic Mass 767.57247
InChI InChI=1S/C41H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38-39,42-43H,3-16,18,20-37H2,1-2H3,(H,46,47)/b19-17-/t38?,39-/m1/s1/i36D2,37D2,39D
InChIKey STEDXSJDFPVFJC-LDQIZZEHSA-N
SMILES P(OC([C@](OC(=O)CCCCCCC/C=C\CCCCCCCC)(C(OC(=O)CCCCCCCCCCCCCCCC)([2H])[2H])[2H])([2H])[2H])(OCC(O)CO)(O)=O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2R)-1,1,2,3,3-Pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate (CHEBI:182015) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1,1,2,3,3-pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate