CHEBI:186998 - PHODiA-PA

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PHODiA-PA
ChEBI ID CHEBI:186998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H49O11P
Net Charge 0
Average Mass 580.652
Monoisotopic Mass 580.30125
InChI InChI=1S/C27H49O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(31)36-21-24(22-37-39(33,34)35)38-27(32)18-15-16-23(28)19-20-25(29)30/h19-20,23-24,28H,2-18,21-22H2,1H3,(H,29,30)(H2,33,34,35)/b20-19+/t23?,24-/m1/s1
InChIKey ZSOUONDSOGQNCQ-IIDPGKIRSA-N
SMILES P(OC[C@H](OC(=O)CCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 )
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ChEBI Ontology
Outgoing PHODiA-PA (CHEBI:186998) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
(E)-8-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-hydroxy-8-oxooct-2-enoic acid
Manual Xrefs Databases
113380994 ChemSpider
LMGP20070007 LIPID MAPS
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