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CHEBI:169533 - PI(18:4(6Z,9Z,12Z,15Z)/0:0)

ChEBI IDCHEBI:169533
ChEBI NamePI(18:4(6Z,9Z,12Z,15Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45O12P
Net Charge0
Average Mass592.619
Monoisotopic Mass592.26486
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C27H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h3-4,6-7,9-10,12-13,20,22-28,30-34H,2,5,8,11,14-19H2,1H3,(H,35,36)/b4-3-,7-6-,10-9-,13-12-/t20-,22?,23-,24?,25?,26?,27?/m1/s1
InChIKeyRZLNVOWKGBDTLF-IPKXSSBJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
PI(18:4(6Z,9Z,12Z,15Z)/0:0) (CHEBI:169533) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP06050017LIPID MAPS