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saturated 1-archaetidyl-D-myo-inositol

Properties

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Occurences in reactions

MNX_ID

MNXM149188

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₉H₉₈O₁₁P

charge

-1

mass

893.68522

reference

chebi:74007

InChIKey

JTCUWWRWFRHYJL-OFPJJYCCSA-M

InChI

InChI=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

SMILES

CC(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74007 chebi:74007	saturated 1-archaetidyl-D-myo-inositol (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 1-archaetidyl-D-myo-inositol(1-) AI saturated archaetidylinositol
CHEBI:74088 chebi:74088	1-archaetidyl-D-myo-inositol 2,3-diphytanyl-sn-glycero-1-phospho-(1'-myo-inositol) AI saturated archaetidylinositol
seed.compound:cpd31636 seedM:cpd31636	2,3-O-diphytanyl-sn-glycero-1-phospho-myo-inositol saturated archaetidylinositol
metacyc.compound:CPD-15256 metacycM:CPD-15256	saturated archaetidylinositol 2,3-O-diphytanyl-sn-glycero-1-phospho-myo-inositol AI
seedM:M_cpd31636	secondary/obsolete/fantasy identifier