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CHEBI:74007 - 1-archaetidyl-D-myo-inositol(1−)

ChEBI IDCHEBI:74007
ChEBI Name1-archaetidyl-D-myo-inositol(1−)
Stars
ASCII Name1-archaetidyl-D-myo-inositol(1-)
DefinitionAn ionic phospholipid that is the conjugate base of 1-archaetidyl-D-myo-inositol, obtained by deprotonation of the phosphate OH group.
Last Modified12 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC49H98O11P
Net Charge-1
Average Mass894.286
Monoisotopic Mass893.68522
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C49H99O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-54H,11-34H2,1-10H3,(H,55,56)/p-1/t37-,38-,39-,40-,41-,42-,43+,44-,45-,46+,47-,48-,49-/m1/s1
InChIKeyJTCUWWRWFRHYJL-OFPJJYCCSA-M
ChEBI Ontology
Outgoing Relation(s)
1-archaetidyl-D-myo-inositol(1−) (CHEBI:74007) is a anionic phospholipid (CHEBI:62643)
1-archaetidyl-D-myo-inositol(1−) (CHEBI:74007) is conjugate base of 1-archaetidyl-D-myo-inositol (CHEBI:74088)
Incoming Relation(s)
1-archaetidyl-D-myo-inositol (CHEBI:74088) is conjugate acid of 1-archaetidyl-D-myo-inositol(1−) (CHEBI:74007)
IUPAC Name 
(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (12S,2R,3R,42S,52S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
AIMetaCyc
saturated archaetidylinositolMetaCyc
UniProt Name  Source
saturated 1-archaetidyl-D-myo-inositolUniProt
Manual XrefsDatabases
CPD-15256MetaCyc
Citations