CHEBI:186200 - PI(18:4(6Z,9Z,12Z,15Z)/13:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PI(18:4(6Z,9Z,12Z,15Z)/13:0)
ChEBI ID CHEBI:186200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H69O13P
Net Charge 0
Average Mass 788.953
Monoisotopic Mass 788.44758
InChI InChI=1S/C40H69O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-33(41)50-30-32(52-34(42)29-27-25-23-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h5,7,11,13,16-17,19,21,32,35-40,43-47H,3-4,6,8-10,12,14-15,18,20,22-31H2,1-2H3,(H,48,49)/b7-5-,13-11-,17-16-,21-19-/t32-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKey MVRQPZGCHVIQMS-CXDQKLPTSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(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 PI(18:4(6Z,9Z,12Z,15Z)/13:0) (CHEBI:186200) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-tridecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual Xref Database
LMGP06010394 LIPID MAPS
View more database links