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CHEBI:168995 - PHHdiA-PI

ChEBI IDCHEBI:168995
ChEBI NamePHHdiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H57O16P
Net Charge0
Average Mass728.766
Monoisotopic Mass728.33842
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC(O)/C=C/C(=O)O
InChIInChI=1S/C32H57O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(36)45-20-23(47-26(37)19-17-22(33)16-18-24(34)35)21-46-49(43,44)48-32-30(41)28(39)27(38)29(40)31(32)42/h16,18,22-23,27-33,38-42H,2-15,17,19-21H2,1H3,(H,34,35)(H,43,44)/b18-16+/t22?,23-,27?,28-,29?,30?,31?,32?/m1/s1
InChIKeyBTKFITNLZPJFIC-AVRRHJNESA-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)
PHHdiA-PI (CHEBI:168995) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-7-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4-hydroxy-7-oxohept-2-enoic acid
Manual XrefsDatabases
LMGP20050011LIPID MAPS