Search MNXref
 Feedback

dihydromonacolin L carboxylate

PropertiesImage
MNX_IDMNXM145633 Image of MNXM145633
referencechebi:79031
formulaC19H31O4
global charge-1
mol weight323.453
InChIKeyNYKUCCPVLWRDEZ-VCWNUMGPSA-M
InChIInChI=1S/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,14+,15-,16-,17+,18+/m1/s1
SMILESC[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H](C)C=C[C@H]2C1
MNX internals
InChI (mnx)InChI=1/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/t12-,13+,14+,15-,16-,17+,18+/m1/s1 Image of MNXM145633
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:3][CH2:7][C@H:18]2[C@@H:14]([CH:5]=[CH:4][C@H:13]([CH3:2])[C@@H:17]2[CH2:8][CH2:6][C@H:15]([CH2:10][C@H:16]([CH2:11][C:19](=[O:22])[OH:23])[OH:21])[OH:20])[CH2:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79031
chebi:79031
NYKUCCPVLWRDEZ-VCWNUMGPSA-M 		dihydromonacolin L carboxylate
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
dihydromonacolin L acid(1-)

kegg.compound:C20851
keggC:C20851
NYKUCCPVLWRDEZ-VCWNUMGPSA-N 		Dihydromonacolin L acid
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen1yl]-3,5-dihydroxyheptanoate

metacyc.compound:CPD-16907
metacycM:CPD-16907
seed.compound:cpd32181
seedM:cpd32181
NYKUCCPVLWRDEZ-VCWNUMGPSA-M 		dihydromonacolin L acid

CHEBI:82970
chebi:82970
NYKUCCPVLWRDEZ-VCWNUMGPSA-N 		dihydromonacolin L acid
(3R,5R)-7-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

keggC:M_C20851
seedM:M_cpd32181 		secondary/obsolete/fantasy identifier