CHEBI:187187 - PHDdiA-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 PHDdiA-PA
ChEBI ID CHEBI:187187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H57O11P
Net Charge 0
Average Mass 636.760
Monoisotopic Mass 636.36385
InChI InChI=1S/C31H57O11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(35)40-25-28(26-41-43(37,38)39)42-31(36)22-19-16-13-14-17-20-27(32)23-24-29(33)34/h23-24,27-28,32H,2-22,25-26H2,1H3,(H,33,34)(H2,37,38,39)/b24-23+/t27?,28-/m1/s1
InChIKey PJPSNMGIUHJDAO-DGNXXYLPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(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 PHDdiA-PA (CHEBI:187187) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
(E)-12-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
Manual Xrefs Databases
113380990 ChemSpider
LMGP20070003 LIPID MAPS
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