CHEBI:181370 - [(2R)-1,1,2,3,3-Pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate

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ChEBI Name [(2R)-1,1,2,3,3-Pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate
ChEBI ID CHEBI:181370
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H70D5O10P
Net Charge 0
Average Mass 740.023
Monoisotopic Mass 739.54117
InChI InChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,36-37,40-41H,3-13,15,17-35H2,1-2H3,(H,44,45)/b16-14-/t36?,37-/m1/s1/i34D2,35D2,37D
InChIKey MHNGEXBQDYOSOH-CTKPZJSYSA-N
SMILES P(OC([C@](OC(=O)CCCCCCC/C=C\CCCCCC)(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-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate (CHEBI:181370) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate