CHEBI:187370 - PI(13:0/12:0)

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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(13:0/12:0)
ChEBI ID CHEBI:187370
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H65O13P
Net Charge 0
Average Mass 712.855
Monoisotopic Mass 712.41628
InChI InChI=1S/C34H65O13P/c1-3-5-7-9-11-13-15-16-18-20-22-27(35)44-24-26(46-28(36)23-21-19-17-14-12-10-8-6-4-2)25-45-48(42,43)47-34-32(40)30(38)29(37)31(39)33(34)41/h26,29-34,37-41H,3-25H2,1-2H3,(H,42,43)/t26-,29?,30-,31?,32?,33?,34?/m1/s1
InChIKey XKQUMYOGLKTHHB-ZGNHYRAZSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)(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(13:0/12:0) (CHEBI:187370) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] tridecanoate
Manual Xref Database
LMGP06010036 LIPID MAPS
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