CHEBI:186900 - PI(12:0/20:4(5Z,8Z,11Z,14Z))

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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 PI(12:0/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:186900
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H71O13P
Net Charge 0
Average Mass 802.980
Monoisotopic Mass 802.46323
InChI InChI=1S/C41H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h11,13,15-16,18-19,22,24,33,36-41,44-48H,3-10,12,14,17,20-21,23,25-32H2,1-2H3,(H,49,50)/b13-11-,16-15-,19-18-,24-22-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKey CWCALGUMYCQMED-OMOWUUOWSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(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(12:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186900) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xref Database
LMGP06010030 LIPID MAPS
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