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3alpha-hydroxy-3,5-dihydromonacolin L carboxylate

PropertiesImage
MNX_IDMNXM145700 Image of MNXM145700
referencechebi:79036
formulaC19H31O5
global charge-1
mol weight339.452
InChIKeyMRKCPMGQBNMKTA-GBRHIFDWSA-M
InChIInChI=1S/C19H32O5/c1-11-3-5-17-13(7-11)8-18(22)12(2)16(17)6-4-14(20)9-15(21)10-19(23)24/h8,11-12,14-18,20-22H,3-7,9-10H2,1-2H3,(H,23,24)/p-1/t11-,12-,14-,15-,16+,17+,18-/m1/s1
SMILESC[C@@H]1CC[C@H]2C(=C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-])C1
MNX internals
InChI (mnx)InChI=1/C19H32O5/c1-11-3-5-17-13(7-11)8-18(22)12(2)16(17)6-4-14(20)9-15(21)10-19(23)24/h8,11-12,14-18,20-22H,3-7,9-10H2,1-2H3,(H,23,24)/t11-,12-,14-,15-,16+,17+,18-/m1/s1 Image of MNXM145700
SMILES (mnx)[CH3:1][C@@H:11]1[CH2:3][CH2:5][C@H:17]2[C:13](=[CH:8][C@@H:18]([OH:22])[C@H:12]([CH3:2])[C@@H:16]2[CH2:6][CH2:4][C@H:14]([CH2:9][C@H:15]([CH2:10][C:19](=[O:23])[OH:24])[OH:21])[OH:20])[CH2:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79036
chebi:79036
MRKCPMGQBNMKTA-GBRHIFDWSA-M 		3alpha-hydroxy-3,5-dihydromonacolin L carboxylate
(3R,5R)-3,5-dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate

kegg.compound:C20852
keggC:C20852
MRKCPMGQBNMKTA-GBRHIFDWSA-N 		3alpha-Hydroxy-3,5-dihydromonacolin L acid
(3R,5R)-7-[(1R,2R,3S,6R,8aR)-3-Hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

metacyc.compound:CPD-16906
metacycM:CPD-16906
seed.compound:cpd34340
seedM:cpd34340
MRKCPMGQBNMKTA-GBRHIFDWSA-M 		3alpha-hydroxy-3,5-dihydromonacolin L acid

CHEBI:82972
chebi:82972
MRKCPMGQBNMKTA-GBRHIFDWSA-N 		3alpha-hydroxy-3,5-dihydromonacolin L acid
(3R,5R)-3,5-dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoic acid

keggC:M_C20852
seedM:M_cpd34340 		secondary/obsolete/fantasy identifier