CHEBI:168505 - PI(14:1(9Z)/0:0)

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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(14:1(9Z)/0:0)
ChEBI ID CHEBI:168505
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H43O12P
Net Charge 0
Average Mass 542.559
Monoisotopic Mass 542.24921
InChI InChI=1S/C23H43O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)33-14-16(24)15-34-36(31,32)35-23-21(29)19(27)18(26)20(28)22(23)30/h5-6,16,18-24,26-30H,2-4,7-15H2,1H3,(H,31,32)/b6-5-/t16-,18?,19-,20?,21?,22?,23?/m1/s1
InChIKey YCAFKRZSALADNM-YMNFRLIOSA-N
SMILES P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCC)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing PI(14:1(9Z)/0:0) (CHEBI:168505) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate
Manual Xref Database
LMGP06050031 LIPID MAPS
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