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CHEBI:74006 - 1-archaetidyl-1D-myo-inositol 3-phosphate(3−)

Default Structure
ChEBI IDCHEBI:74006
ChEBI Name1-archaetidyl-1D-myo-inositol 3-phosphate(3−)
Stars
ASCII Name1-archaetidyl-1D-myo-inositol 3-phosphate(3-)
DefinitionAn ionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-archaetidyl-1D-myo-inositol 3-phosphate.
Last Modified12 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC49H97O14P2
Net Charge-3
Average Mass972.249
Monoisotopic Mass971.63700
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](OP(=O)([O-])[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/C49H100O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h35-53H,11-34H2,1-10H3,(H,57,58)(H2,54,55,56)/p-3/t37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49+/m1/s1
InChIKeyZEUIOZPPYUDCRR-YLALLHFRSA-K
ChEBI Ontology
Outgoing Relation(s)
1-archaetidyl-1D-myo-inositol 3-phosphate(3−) (CHEBI:74006) is a anionic phospholipid (CHEBI:62643)
1-archaetidyl-1D-myo-inositol 3-phosphate(3−) (CHEBI:74006) is conjugate base of 1-archaetidyl-1D-myo-inositol 3-phosphate (CHEBI:74081)
Incoming Relation(s)
1-archaetidyl-1D-myo-inositol 3-phosphate (CHEBI:74081) is conjugate acid of 1-archaetidyl-1D-myo-inositol 3-phosphate(3−) (CHEBI:74006)
IUPAC Name 
(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
AIPSUBMITTER
archaetidylinositol phosphate(3−)ChEBI
saturated archaetidylinositol 3-phosphateMetaCyc
UniProt Name  Source
saturated 1-archaetidyl-1D-myo-inositol 3-phosphateUniProt
Manual XrefsDatabases
CPD-15255MetaCyc
Citations