CHEBI:190092 - [(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate

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ChEBI Name [(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate
ChEBI ID CHEBI:190092
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H57O10P
Net Charge 0
Average Mass 596.739
Monoisotopic Mass 596.36894
InChI InChI=1S/C29H57O10P/c1-35-23-19-15-11-7-3-5-9-13-17-21-28(30)37-25-27(26-38-40(32,33)34)39-29(31)22-18-14-10-6-4-8-12-16-20-24-36-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m0/s1
InChIKey CONGBQWZYAQGJB-MHZLTWQESA-N
SMILES P(OC[C@@H](OC(=O)CCCCCCCCCCCOC)COC(=O)CCCCCCCCCCCOC)(O)(O)=O
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate (CHEBI:190092) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxypropyl] 12-methoxydodecanoate
Manual Xref Database
400387 ChemSpider
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