CHEBI:187661 - PI(13:0/17:1(9Z))

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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(13:0/17:1(9Z))
ChEBI ID CHEBI:187661
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H73O13P
Net Charge 0
Average Mass 780.974
Monoisotopic Mass 780.47888
InChI InChI=1S/C39H73O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33(41)51-31(29-49-32(40)27-25-23-21-19-14-12-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h15-16,31,34-39,42-46H,3-14,17-30H2,1-2H3,(H,47,48)/b16-15-/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKey HTTXYWVNVDJWAM-OFQUDPFGSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)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(13:0/17:1(9Z)) (CHEBI:187661) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
Manual Xref Database
LMGP06010042 LIPID MAPS
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