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1-deoxy-11beta-hydroxypentalenate

PropertiesImage
MNX_IDMNXM9677 Image of MNXM9677
referencechebi:70779
formulaC15H21O3
global charge-1
mol weight249.33
InChIKeyIZHNAGBQRXWHMT-QLLAZOAUSA-M
InChIInChI=1S/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,12-,15-/m1/s1
SMILESC[C@@H]1[C@H](O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312
MNX internals
InChI (mnx)InChI=1/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,12-,15-/m1/s1 Image of MNXM9677
SMILES (mnx)[CH3:1][C@@H:8]1[C@H:12]([OH:16])[CH2:5][C@H:11]2[C:10]([C:13](=[O:17])[OH:18])=[CH:4][C@@H:9]3[CH2:6][C:14]([CH3:2])([CH3:3])[CH2:7][C@@:15]132
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:70779
chebi:70779
IZHNAGBQRXWHMT-QLLAZOAUSA-M 		1-deoxy-11beta-hydroxypentalenate
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate

CHEBI:182941
chebi:182941
IZHNAGBQRXWHMT-DEWKPKHESA-N 		(2S,3R,5R,8S)-3-Hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
(2S,3R,5R,8S)-3-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

seed.compound:cpd31085
seedM:cpd31085
kegg.compound:C20403
keggC:C20403
IZHNAGBQRXWHMT-DEWKPKHESA-M
IZHNAGBQRXWHMT-DEWKPKHESA-N 		1-Deoxy-11beta-hydroxypentalenate

metacyc.compound:CPD-13620
metacycM:CPD-13620
IZHNAGBQRXWHMT-QLLAZOAUSA-M 		1-deoxy-11beta-hydroxypentalenate
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
11beta-hydroxy-1-deoxypentalenate
11beta-hydroxy-1-deoxypentalenic acid

CHEBI:70796
chebi:70796
IZHNAGBQRXWHMT-QLLAZOAUSA-N 		1-deoxy-11beta-hydroxypentalenic acid
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid

lipidmaps:LMPR0103890002
lipidmapsM:LMPR0103890002
IZHNAGBQRXWHMT-QLLAZOAUSA-N 		1-deoxy-11beta-hydroxypentalenic acid
1-deoxy-11beta-hydroxypentalenic acid

seed.compound:cpd23964
seedM:cpd23964
IZHNAGBQRXWHMT-QLLAZOAUSA-M 		11beta-hydroxy-1-deoxypentalenate
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate
1-deoxy-11beta-hydroxypentalenate
11beta-hydroxy-1-deoxypentalenic acid

keggC:M_C20403
seedM:M_cpd23964
seedM:M_cpd31085 		secondary/obsolete/fantasy identifier