CHEBI:185098 - [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid

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ChEBI Name [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid
ChEBI ID CHEBI:185098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H69O10P
Net Charge 0
Average Mass 680.901
Monoisotopic Mass 680.46284
InChI InChI=1S/C35H69O10P/c1-5-31(4)23-19-15-11-7-9-13-17-21-25-35(39)45-33(29-44-46(40,41)43-27-32(37)26-36)28-42-34(38)24-20-16-12-8-6-10-14-18-22-30(2)3/h30-33,36-37H,5-29H2,1-4H3,(H,40,41)/t31?,32-,33+/m0/s1
InChIKey MUHFJVIORYXYQE-ADIDXWPESA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC(CC)C)COC(=O)CCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
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 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(12-methyltetradecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphinic acid (CHEBI:185098) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(12-methyltridecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Manual Xrefs Databases
74878403 ChemSpider
HMDB0116691 HMDB
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