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CHEBI:186570 - hydroxyarchaetidylinositol

ChEBI IDCHEBI:186570
ChEBI Namehydroxyarchaetidylinositol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H99O12P
Net Charge0
Average Mass911.293
Monoisotopic Mass910.68742
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O)OCCC(C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C49H99O12P/c1-35(2)17-11-19-37(5)21-13-23-39(7)24-15-26-41(9)28-31-58-33-42(34-60-62(56,57)61-48-46(53)44(51)43(50)45(52)47(48)54)59-32-30-49(10,55)29-16-27-40(8)25-14-22-38(6)20-12-18-36(3)4/h35-48,50-55H,11-34H2,1-10H3,(H,56,57)/t37-,38-,39-,40-,41-,42+,43?,44-,45+,46+,47+,48?,49?/m1/s1
InChIKeyBIMQTAPDDPVEMF-HDDFTCKKSA-N
Species of MetaboliteComponentSourceComments
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308) cell culture (BTO:0000214) MetaboLights (MTBLS3714)
ChEBI Ontology
Outgoing Relation(s)
hydroxyarchaetidylinositol (CHEBI:186570) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2S)-2-[(7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecoxy]-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Manual XrefsDatabases
170512ChemSpider