CHEBI:187159 - POB-PI

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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 POB-PI
ChEBI ID CHEBI:187159
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H55O13P
Net Charge 0
Average Mass 654.731
Monoisotopic Mass 654.33803
InChI InChI=1S/C30H55O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(32)40-20-23(42-25(33)18-16-19-31)21-41-44(38,39)43-30-22(2)26(34)27(35)28(36)29(30)37/h19,22-23,26-30,34-37H,3-18,20-21H2,1-2H3,(H,38,39)/t22?,23-,26?,27?,28-,29?,30+/m1/s1
InChIKey WJBLMUBKBULJSW-LNUUEKPCSA-N
SMILES P(O[C@H]1C(C(O)C(O)[C@@H](O)C1O)C)(OC[C@H](OC(=O)CCC=O)COC(=O)CCCCCCCCCCCCCCC)(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
ChEBI Ontology
Outgoing POB-PI (CHEBI:187159) is a glycerophospholipid (CHEBI:37739)
IUPAC Name
[(2R)-3-[hydroxy-[(1S,3R)-2,3,4,5-tetrahydroxy-6-methylcyclohexyl]oxyphosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] hexadecanoate
Manual Xref Database
LMGP20050016 LIPID MAPS
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