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CHEBI:185675 - OHHdiA-PI

ChEBI IDCHEBI:185675
ChEBI NameOHHdiA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H59O16P
Net Charge0
Average Mass754.804
Monoisotopic Mass754.35407
SMILESCCCCCCCC/C=C\CCCCCCCC(=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/C34H59O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(38)47-22-25(49-28(39)21-19-24(35)18-20-26(36)37)23-48-51(45,46)50-34-32(43)30(41)29(40)31(42)33(34)44/h9-10,18,20,24-25,29-35,40-44H,2-8,11-17,19,21-23H2,1H3,(H,36,37)(H,45,46)/b10-9-,20-18+/t24?,25-,29?,30-,31?,32?,33?,34?/m1/s1
InChIKeyGJKJHBUGZWEOHV-UMQNRCJMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OHHdiA-PI (CHEBI:185675) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
(E)-4-hydroxy-7-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-7-oxohept-2-enoic acid
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